![C9H10N2O5 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidine-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C9H10N2O5 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidine-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3R,3aS,9aR)- (9CI, ACI) Ofbylding mei de útlis](https://www.csnvchem.com/uploads/C9H10N2O5-6H-Furo.png)
C9H10N2O5 6H-Furo[2′,3′:4,5]oksazolo[3,2-a]pyrimidine-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, (2R,3R,3aS,9aR)- (9CI, ACI)
CAS-registraasjenûmer
3736-77-4
| Wichtige fysike eigenskippen | Wearde | Betingst |
| Molekulêr gewicht | 226.19 | - |
| Smeltpunt (eksperiminteel) | 234-235 °C | - |
| Siedpunt (foarsein) | 456,3±55,0 °C | Druk: 760 Torr |
| Dichtheid (foarsein) | 2,01 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr |
| pKa (Foarsein) | 12,55±0,40 | Soerste temperatuer: 25 °C |
Kanonike SMILES
O=C1N=C2OC3C(O)C(OC3N2C=C1)CO
Isomere SMILES
O[C@H]1[C@]2([C@](N3C(O2)= NC(=O)C=C3)(O[C@H]1CO)[H])[H]
YnChI
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/s
InChI-kaai
UUGITDASWNOAGG-CCXZUQQUSA-N
13 Oare nammen foar dizze stof
(2R,3 R,3aS,9aR)-2,3,3a,9a-Tetrahydro-3-hydroxy-2-(hydroxymethyl)-6H-furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidine-6-on (ACI); 6H-Furo[2′, 3′:4,5]oxazolo[3,2-a]pyrimidine-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)- (6CI, 7CI); 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidine-6-on, 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]
pyrimidine-6-on, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-, stereoisomeer (8CI); 2,2′-Anhydro(1-β-D-arabinofuranosyl)uracil; 2,2′-Anhydro-1-β-D-arabino-furanosyluracil; 2,2′-Anhydro-N1-(β-D-arabinofuranosyl)uracil; 2,2′-Anhydrouridine; 2,2′-O-Cyclouridine; NSC 157148; O2,2′-Anhydrouridine; O2,2′-Cyclouridine; β-D-2′,2-O-Cycloorabinouridine
Beskikbere eigenskippen
Optyske en fersprieding
Termysk
| Besit | Wearde | Betingst | Boarne |
| Optyske rotaasjekrêft | -19 graden | Oplosmiddel: Metanol; λ: 589.3 nm; Temp: 26 °C | (1) CAS |
(1) Codington, John F.; Tydskrift fan 'e Amerikaanske Gemyske Feriening, (1961), 83, 5030-1, CAplus
| Besit | Wearde | Betingst | Boarne |
| Smeltpunt | 250-253 °C | (1) CAS | |
| Smeltpunt | 246 °C | Oplosmiddel: Ethanol; Isopropanol | (2) CAS |
| Smeltpunt | 242-245 °C | (3) CAS | |
| Smeltpunt | 242-243 °C | (4) CAS | |
| Smeltpunt | 236-238 °C (ûntbining) | (5) CAS | |
| Smeltpunt | 234 °C | (6) CAS | |
| Smeltpunt | 234-235 °C | (7) CAS | |
| Smeltpunt | 233-234 °C (ûntbining) | Oplosmiddel: Metanol | (8) CAS |
| Smeltpunt | Sjoch folsleine tekst | (9) CAS |
(1) Lin, Kun-I.; Tydskrift fan 'e Sineeske Gemyske Feriening (Taipei, Taiwan), (2007), 54(2), 563-568, CAplus
(2) Takatsuki, Ken-ichi; Nukleosiden, Nukleotiden & Nukleïnezuren, (2006), 25(7), 719-734, CAplus
(3) Wnuk, Stanislaw F.; Journal of Organic Chemistry, (2002), 67(6), 1816-1819, CAplus
(4) Szlenkier, Maurycy; Nukleosiden, Nukleotiden & Nukleïnezuren, (2016), 35(8), 410-425, CAplus
(5) Marumoto, Ryuji; Takeda Kenkyusho Nenpo, (1967), 26, 21-3, CAplus
(6) Krizmanic, Irena; Tetrahedron, (2003), 59(23), 4047-4057, CAplus
(7) Brown, DM; Tydskrift fan 'e Gemyske Feriening, (1958), 3035-8, CAplus
(8) Li, Heting; Syntetyske Kommunikaasje, (2006), 36(14), 1933-1940, CAplus
(9) Codington, John F.; Tydskrift fan 'e Amerikaanske Gemyske Feriening, (1961), 83, 5030-1, CAplus
Spektra beskikber
1H NMR
13C NMR
IR
Spektra beskikber
Mis
Beskikbere eigenskippen
Biologysk
Gemysk
Dichtheid
Lipinski
Struktuer relatearre
Termysk
| Besit | Wearde | Betingst | Boarne |
| Biokonsintraasjefaktor | 1.0 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Biokonsintraasjefaktor | 1.0 | pH 10; Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Koc | 7.66 | pH 1; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 2; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 3; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 4; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 5; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 6; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 7; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.66 | pH 8; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Koc | 7.66 | pH 9; Temperatuer: 25 °C | (1) ACD |
| Koc | 7.64 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 1; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 2; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 3; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 4; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 5; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 6; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 7; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 8; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 9; Temperatuer: 25 °C | (1) ACD |
| logD | -0.91 | pH 10; Temperatuer: 25 °C | (1) ACD |
| logP | -0.906±0.555 | Temperatuer: 25 °C | (1) ACD |
| Massa yntrinsike oplosberens | 4,7 g/L | Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Massa-oplosberens | 4,7 g/L | Unbufferd wetter pH 6.91; Temp: 25 °C | (1) ACD |
| Molêre yntrinsike oplosberens | 0,021 mol/L | Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 1; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 2; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 3; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 4; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 5; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 6; Temperatuer: 25 °C | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Molêre oplosberens | 0,021 mol/L | pH 7; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 8; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 9; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | pH 10; Temperatuer: 25 °C | (1) ACD |
| Molêre oplosberens | 0,021 mol/L | Unbufferd wetter pH 6.91; Temp: 25 °C | (1) ACD |
| Molekulêr gewicht | 226.19 | ||
| pKa | 12,55±0,40 | Soerste temperatuer: 25 °C | (1) ACD |
| pKa | -4,68±0,60 | Meast basistemperatuer: 25 °C | (1) ACD |
| Dampdruk | 3.04 x 10-10 Torr | Temperatuer: 25 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Dichtheid | 2,01 ± 0,1 g/cm3 | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
| Molêr folume | 112,3 ± 7,0 cm3/mol | Temp: 20 °C; Druk: 760 Torr | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Frij rotearbere obligaasjes | 3 | (1) ACD | |
| H-akseptors | 7 | (1) ACD | |
| H Donateurs | 2 | (1) ACD | |
| H Donor/Akseptor Som | 9 | (1) ACD | |
| logP | -0.906±0.555 | Temperatuer: 25 °C | (1) ACD |
| Molekulêr gewicht | 226.19 |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Boarne fan 'e tastân |
| Poaloerflak | 91.6 A2 | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
| Besit | Wearde | Betingst | Boarne |
| Siedpunt | 456,3±55,0 °C | Druk: 760 Torr | (1) ACD |
| Besit | Wearde | Betingst | Boarne |
| Enthalpy fan ferdamping | 82,62 ± 6,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 229,8±31,5 °C | (1) ACD |
(1) Berekkene mei Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikber
1H NMR
13C NMR
| Boarne fan 'e gefaarferklearring fan 'e koade | |
| H302 Skealik by ynslikken | Klassifikaasje en etikettering fan it Europeesk Gemysk Agintskip (ECHA) Ynventaris - Notifisearre klassifikaasje en etikettering - meast foarkommende notifikaasjes, Europeesk Gemysk Agintskip (ECHA) Klassifikaasje- en etiketteringsynventaris - Meldde klassifikaasje en etikettering - meast serieuze meldingen |
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