ChemSpider 2D Image | 4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one | C9H13N3O4

4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

  • Molecular FormulaC9H13N3O4
  • Average mass227.217 Da
  • Monoisotopic mass227.090607 Da
  • ChemSpider ID23131515

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3'-Deoxycytidine [ACD/IUPAC Name]
3'-Deoxy-D-cytidine
4-Amino-1-(3-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one
7057-33-2 [RN]

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

Density: 1.7±0.0 g/cm3
Boiling Point: 497.6±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 88.2±0.0 kJ/mol
Flash Point: 254.8±0.0 °C
Index of Refraction: 1.719
Molar Refractivity: 51.8±0.0 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.70
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.73
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.84
Polar Surface Area: 108 Å2
Polarizability: 20.5±0.0 10-24cm3
Surface Tension: 77.8±0.0 dyne/cm
Molar Volume: 131.1±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement