[2R-(2α,3β,3aβ,9aβ)]-2,3,3a,9a-Tetrahydro-3-hydroxy-(hydroxymethyl)-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-on
Bezeichnung:[2R-(2α,3β,3aβ,9aβ)]-2,3,3a,9a-Tetrahydro-3-hydroxy-(hydroxymethyl)-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-on
CAS-Nr3736-77-4
Englisch Name:2,2'-Cyclouridine
CBNumberCB2290216
SummenformelC9H10N2O5
Molgewicht226.19
MOL-Datei3736-77-4.mol
Synonyma
[2R-(2α,3β,3aβ,9aβ)]-2,3,3a,9a-Tetrahydro-3-hydroxy-(hydroxymethyl)-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-on
[2R-(2α,3β,3aβ,9aβ)]-2,3,3a,9a-Tetrahydro-3-hydroxy-(hydroxymethyl)-6H-furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-on physikalisch-chemischer Eigenschaften
| Schmelzpunkt | 248-251 °C(lit.) |
| alpha | -21°(19℃, c=4, H2O) |
| Siedepunkt | 456.3±55.0 °C(Predicted) |
| Dichte | 2.01±0.1 g/cm3(Predicted) |
| Brechungsindex | -20 ° (C=4, H2O) |
| storage temp. | -20°C |
| Löslichkeit | DMSO:2.0(Max Conc. mg/mL);8.84(Max Conc. mM) PBS (pH:7.2):1.0(Max Conc. mg/mL);4.42(Max Conc. mM) |
| Aggregatzustand | powder to crystal |
| pka | 12.55±0.40(Predicted) |
| Farbe | White to Almost white |
| Optische Aktivität | [α]19/D 21°, c = 4 in H2O |
| 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 |
| InChIKey | UUGITDASWNOAGG-CCXZUQQUSA-N |
| SMILES | C12O[C@@]3([H])[C@H](O)[C@@H](CO)O[C@@]3([H])N1C=CC(=O)N=2 |
| CAS Datenbank | 3736-77-4 |
