ChemSpider 2D Image | 4-Amino-1-(2-deoxy-beta-D-threo-pentofuranosyl)-5-hydroxy-2(1H)-pyrimidinone | C9H13N3O5

4-Amino-1-(2-deoxy-β-D-threo-pentofuranosyl)-5-hydroxy-2(1H)-pyrimidinone

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID58782744

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-β-D-threo-pentofuranosyl)-5-hydroxy- [ACD/Index Name]
4-Amino-1-(2-deoxy-β-D-threo-pentofuranosyl)-5-hydroxy-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(2-desoxy-β-D-threo-pentofuranosyl)-5-hydroxy-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(2-désoxy-β-D-thréo-pentofuranosyl)-5-hydroxy-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 536.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 278.0±32.9 °C
Index of Refraction: 1.756
Molar Refractivity: 52.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.77
ACD/LogD (pH 5.5): -2.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 89.6±7.0 dyne/cm
Molar Volume: 128.4±7.0 cm3

Click to predict properties on the Chemicalize site


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