C11H15N5O4 Adenosinum, 2′-O-methyl- (7CI, 8CI, 9CI, ACI)
Numerus Registri CAS
2140-79-6
| Proprietates Physicae Claves | Valor | Conditio |
| Pondus Moleculare | 281.27 | - |
| Punctum Liquefactionis (Experimentale) | 204-206°C | - |
| Punctum Ebullitionis (Praedictum) | 623.8±65.0°C | Prelum: 760 Torr |
| Densitas (Praedicta) | 1.84±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr |
| pKa (Praedictum) | 13.13±0.70 | Temperatura Acida Maxima: 25°C |
Subrisus Canonici
OCC1OC(N2C=NC=3C(=NC=NC32)N)C(OC)C1O
Subrisus Isomerici
O(C)[C@H]¹[C@H](N²C=³C(N=C²)=C(N)N=CN³)O[C@H](CO)[C@H]¹O
InChI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-155-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-
Clavis InChI
FPUGCISOLXNPPC-IOSLPCCCSA-N
Duo Alia Nomina Huius Substantiae
2′ -OMethyladenosinum (ACI); Cordysininum B
Proprietates praesto
Thermalis
| Possessio | Valor | Fons Conditionis |
| Punctum Liquefactionis | 204-206°C | (1) CAS |
(1) Martinez-Montero, Saul; Acta Europaea Chemiae Organicae, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus.
Spectra praesto sunt
1H NMR
13C NMR
IR
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 | 1.78 | pH 5; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.97 | pH 6; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.99 | pH 7; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.99 | pH 8; Temperatura: 25°C | (1) ACD |
| Factor Bioconcentrationis | 1.99 | pH 9; Temperatura: 25°C | (1) ACD |
| Fons Conditionis Valoris Proprietatis |
| Factor Bioconcentrationis 1.99 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 | 1.0 | pH 1; Temperatura: 25°C | (1) ACD |
| Koc | 1.0 | pH 2; Temperatura: 25°C | (1) ACD |
| Koc | 4.54 | pH 3; Temperatura: 25°C | (1) ACD |
| Koc | 26.0 | pH 4; Temperatura: 25°C | (1) ACD |
| Koc | 51.0 | pH 5; Temperatura: 25°C | (1) ACD |
| Koc | 56.4 | pH 6; Temperatura: 25°C | (1) ACD |
| Koc | 57.0 | pH 7; Temperatura: 25°C | (1) ACD |
| Koc | 57.1 | pH 8; Temperatura: 25°C | (1) ACD |
| Koc | 57.1 | pH 9; Temperatura: 25°C | (1) ACD |
| Koc | 57.0 | pH 10; Temperatura: 25°C | (1) ACD |
| logD | -1.70 | pH 1; Temperatura: 25°C | (1) ACD |
| logD | -1.25 | pH 2; Temperatura: 25°C | (1) ACD |
| logD | -0.40 | pH 3; Temperatura: 25°C | (1) ACD |
| logD | 0.36 | pH 4; Temperatura: 25°C | (1) ACD |
| logD | 0.65 | pH 5; Temperatura: 25°C | (1) ACD |
| logD | 0.69 | pH 6; Temperatura: 25°C | (1) ACD |
| logD | 0.70 | pH 7; Temperatura: 25°C | (1) ACD |
| logD | 0.70 | pH 8; Temperatura: 25°C | (1) ACD |
| logD | 0.70 | pH 9; Temperatura: 25°C | (1) ACD |
| logD | 0.70 | pH 10; Temperatura: 25°C | (1) ACD |
| logP | 0.697±0.596 | Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Massae | 3.7 g/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 886 g/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 309 g/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 45 g/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 7.9 g/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.9 g/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.7 g/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.7 g/L | pH 7; Temperatura: 25°C | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Solubilitas Massae | 3.7 g/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.7 g/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.7 g/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Massae | 3.7 g/L | Aqua non tamponata pH 8.07; Temperatura: 25°C | (1) ACD |
| Solubilitas Intrinseca Molaris | 0.013 mol/L | Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 3.15 mol/L | pH 1; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 1.10 mol/L | pH 2; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.16 mol/L | pH 3; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.028 mol/L | pH 4; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.014 mol/L | pH 5; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.013 mol/L | pH 6; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.013 mol/L | pH 7; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.013 mol/L | pH 8; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.013 mol/L | pH 9; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.013 mol/L | pH 10; Temperatura: 25°C | (1) ACD |
| Solubilitas Molaris | 0.013 mol/L | Aqua non tamponata pH 8.07; Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 281.27 | ||
| pKa | 13.13±0.70 | Temperatura Acida Maxima: 25°C | (1) ACD |
| pKa | 3.82±0.10 | Temperatura Maxima Fundamentalis: 25°C | (1) ACD |
| Pressio Vaporis | 2.02 × 10-16 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 | 1.84±0.1 g/cm³ | Temperatura: 20°C; Pressio: 760 Torr | (1) ACD |
| Volumen Molare | 152.5±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 | Fons Conditionis |
| Obligationes libere rotabiles | 5 | (1) ACD |
| Acceptores H | 9 | (1) ACD |
| Donatores H | 4 | (1) ACD |
| Possessio | Valor | Conditio | Fons |
| Summa Donatoris/Acceptoris H | 13 | (1) ACD | |
| logP | 0.697±0.596 | Temperatura: 25°C | (1) ACD |
| Pondus Moleculare | 281.27 |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Fons Conditionis |
| Area Superficialis Polaris | 129 A2 | (1) ACD |
(1) Computatum utens Programmate Progressionis Chemiae Provectioris (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Possessio | Valor | Conditio | Fons |
| Punctum Ebullitionis | 623.8±65.0°C | Prelum: 760 Torr | (1) ACD |
| Enthalpia Vaporizationis | 97.11±3.0 kJ/mol | Prelum: 760 Torr | (1) ACD |
| Punctum Inflammationis | 331.0±34.3°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
| Codex | Declaratio Periculi | Fons |
| H303 | Nocivum esse potest si deglutitur | Periti Curati |
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