ChemSpider 2D Image | 4-Amino-1-{2-[(2-~2~H_1_)deoxy]-beta-D-arabinofuranosyl}-2(1H)-pyrimidinone | C9H12DN3O4

4-Amino-1-{2-[(2-2H1)deoxy]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC9H12DN3O4
  • Average mass228.223 Da
  • Monoisotopic mass228.096878 Da
  • ChemSpider ID8808451

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[2-(deoxy-2-d)-β-D-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-{2-[(2-2H1)deoxy]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{2-[(2-2H1)desoxy]-β-D-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{2-[(2-2H1)désoxy]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 497.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.2±6.0 kJ/mol
Flash Point: 254.8±31.5 °C
Index of Refraction: 1.720
Molar Refractivity: 51.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.22
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.32
Polar Surface Area: 108 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 77.8±7.0 dyne/cm
Molar Volume: 131.1±7.0 cm3

Click to predict properties on the Chemicalize site


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