ChemSpider 2D Image | (2R,3R,9aR)-7-Fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol | C9H10FN3O4

(2R,3R,9aR)-7-Fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol

  • Molecular FormulaC9H10FN3O4
  • Average mass243.192 Da
  • Monoisotopic mass243.065536 Da
  • ChemSpider ID25993321

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R,9aR)-7-Fluor-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol [German] [ACD/IUPAC Name]
(2R,3R,9aR)-7-Fluoro-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol [ACD/IUPAC Name]
(2R,3R,9aR)-7-Fluoro-2-(hydroxyméthyl)-6-imino-2,3,3a,9a-tétrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol [French] [ACD/IUPAC Name]
6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 7-fluoro-2,3,3a,9a-tetrahydro-3-hydroxy-6-imino-, (2R,3R,9aR)- [ACD/Index Name]
253-638-9 [EINECS]
Flurocitabine [INN] [USAN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point: 391.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 190.7±30.7 °C
Index of Refraction: 1.813
Molar Refractivity: 49.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 98 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 84.9±7.0 dyne/cm
Molar Volume: 114.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement