![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3R,3aS,9aR)- (9Cl, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3R,3aS,9aR)- (9CI, ACI) Imago Praecipua.](https://www.csnvchem.com/uploads/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3R,3aS,9aR)- (9Cl, ACI)
Numerus Registri CAS
3736-77-4
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 226.19 | - |
| Punctum Liquefactionis (Experimentale) | 234-235°C | - |
| Punctum Ebullitionis (Praedictum) | 456.3±55.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 2.01±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 12.55±0.40 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
O = C1N = C2OC3C(O)C(OC3N2C = C1)CO
Subrisus Isomerici
O[C@H]¹[C@]²([C@](N³C(O²)= NC(=O)C=C³)(O[C@H]¹CO)[H])[H]
InChI
InChI= 1S/C9H10N2O5/c12-3-4-6(14)7-8(15-4)11-2-1-5(13)10-9(11)16-7/h1-2,4,6-8,12,14H,3H2/t4-,6-,7+,8-/m1/s1
Clavis InChI
UUGITDASWNOAGG-CCXZUQQUSA-N
Tredecim Alia Nomina Huius Substantiae
(2R,3R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum (ACI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-onum, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI, 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a] pyrimidin-6-onum, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI); 6H-Furo[2′,3′:4,5] oxazolo[3,2-a]
pyrimidin-6-onum, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomer (8CI); 2,2′-Anhydro(1-β-D-arabinofuranosyl)uracilum; 2,2′-Anhydro-1-β-D-arabino-furanosyl)uracilum; 2,2′-Anhydro-N1-(β-D-arabinofuranosyl)uracilum; 2,2′-Anhydrouridinum; 2,2′-O-Cyclouridinum; NSC 157148; O2,2′-Anhydrouridinum; O2,2′-Cyclouridinum; β-D-2′,2-O-Cycloarabinouridinum.
Proprietates praesto
Optica et Dispersio
Thermalis
| Possessio | Valor | Conditio | Fons |
| Potentia Rotatoria Optica | -19 gradus | Solvens: Methanolum; λ: 589.3 nm; Temperatura: 26°C | (1) CAS |
(1) Codington, Ioannes F.; Acta Societatis Chemicae Americanae, (1961), 83, 5030-1, CAplus.
| Possessio | Valor | Conditio | Fons |
| Punctum Liquefactionis | 250-253°C | (1) CAS | |
| Punctum Liquefactionis | 246°C | Solvens: Ethanolum; Isopropanolum | (2) CAS |
| Punctum Liquefactionis | 242-245°C | (3) CAS | |
| Punctum Liquefactionis | 242-243°C | (4) CAS | |
| Punctum Liquefactionis | 236-238°C (decompositio) | (5) CAS | |
| Punctum Liquefactionis | 234°C | (6) CAS | |
| Punctum Liquefactionis | 234-235°C | (7) CAS | |
| Punctum Liquefactionis | 233-234°C (decompositio) | Solvens: Methanolum | (8) CAS |
| Punctum Liquefactionis | Vide Textum Integrum | (9) CAS |
(1) Lin, Kun-I.; Acta Societatis Chemicae Sinensis (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus.
(2) Takatsuki, Ken-ichi; Nucleosida, Nucleotida et Acida Nucleica, (2006), 25(7), 719-734, CAplus.
(3) Wnuk, Stanislaus F.; Acta Chemiae Organicae, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nucleosida, Nucleotida et Acida Nucleica, (2016), 35(8), 410-425, CAplus.
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetraedron, (2003), 59(23), 4047-4057, CAplus
(7) Brown, DM; Acta Societatis Chemicae, (1958), 3035-8, CAplus.
(8) Li, Heting; Communicationes Syntheticae, (2006), 36(14), 1933-1940, CAplus.
(9) Codington, Ioannes F.; Acta Societatis Chemicae Americanae, (1961), 83, 5030-1, CAplus.
Spectra praesto sunt
1H NMR
13C NMR
IR
Spectra praesto sunt
Missa
Proprietates praesto
Biologicus
Chemica
Densitas
Lipinski
Structurae Relata
Thermalis
| Possessio | Valor | Conditio | Fons |
| Factor Bioconcentrationis | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 3; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 9; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.0 | pH 10; Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Koc | 7.66 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 7.66 | pH 8; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Koc | 7.66 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 7.64 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | -0.91 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | -0.906±0.555 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 4.7 g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 4.7 g/L | Aqua non tamponata pH 6.91; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 0.021 mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Molaris | 0.021 mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.021 mol/L | Aqua non tamponata pH 6.91; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 226.19 | ||
| pKa | 12.55±0.40 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | -4.68±0.60 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
| Pressio Vaporis | 3.04 × 10⁻⁵ Torr | Temperatura: 25°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Densitas | 2.01±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 112.3±7.0 cm³/mol | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Obligationes libere rotabiles | 3 | (1) ACD | |
| Acceptores H | 7 | (1) ACD | |
| Donatores H | 2 | (1) ACD | |
| Summa Donatoris/Acceptoris H | 9 | (1) ACD | |
| logP | -0.906±0.555 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 226.19 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 91.6 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Punctum Ebullitionis | 456.3±55.0°C | Prelum: 760 Torr | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Enthalpia Vaporizationis | 82.62±6.0 kJ/mol | Prelum: 760 Torr | (1) ACD |
| Punctum Inflammationis | 229.8±31.5°C | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectra praesto sunt
1H NMR
13C NMR
| Fons Enuntiationis Periculi Codicis | |
| H302 Nocivum si deglutitur. | Classificatio et Inscriptiones Agentiae Chemicae Europaeae (ECHA) Inventarium - Classificatio et inscriptiones notificatae - notificationes frequentissimae, Agentia Chemica Europaea (ECHA) Inventarium Classificationis et Inscriptionis - Classificatio et Inscriptionis Notificatae - Notificationes Gravissimae |
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