4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Bezeichnung:4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CAS-Nr10212-20-1
Englisch Name:4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CBNumberCB8670324
SummenformelC9H12FN3O4
Molgewicht245.21
MOL-Datei10212-20-1.mol
4-Amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one physikalisch-chemischer Eigenschaften
Schmelzpunkt | 167 °C |
Siedepunkt | 500.1±60.0 °C(Predicted) |
Dichte | 1.82±0.1 g/cm3(Predicted) |
Brechungsindex | 80 ° (C=1, MeOH) |
storage temp. | Keep in dark place,Sealed in dry,2-8°C |
Löslichkeit | Soluble in DMSO, Methanol. |
pka | 12.84±0.70(Predicted) |
Aggregatzustand | Powder |
Farbe | White to Off-white |
Wasserlöslichkeit | Water: 5 mg/mL (20.39 mM; ultrasonic and warming and heat to 60°C) |
InChI | InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 |
InChIKey | NVZFZMCNALTPBY-XVFCMESISA-N |
SMILES | OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](F)[C@@H]1O |
CAS Datenbank | 10212-20-1(CAS DataBase Reference) |