ChemSpider 2D Image | 4-Amino-1-[2-cyano-2-deoxy-beta-D-(2-~2~H)arabinofuranosyl]-2(1H)-pyrimidinone | C10H11DN4O4

4-Amino-1-[2-cyano-2-deoxy-β-D-(2-2H)arabinofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H11DN4O4
  • Average mass253.233 Da
  • Monoisotopic mass253.092133 Da
  • ChemSpider ID8168004

  • defined stereocentres - 4 of 4 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-cyano-2-deoxy-β-D-arabinofuranosyl-2-d)- [ACD/Index Name]
4-Amino-1-[2-cyan-2-desoxy-β-D-(2-2H)arabinofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[2-cyano-2-deoxy-β-D-(2-2H)arabinofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[2-cyano-2-désoxy-β-D-(2-2H)arabinofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 596.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 314.8±32.9 °C
Index of Refraction: 1.744
Molar Refractivity: 58.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -2.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 132 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 83.4±7.0 dyne/cm
Molar Volume: 144.0±7.0 cm3

Click to predict properties on the Chemicalize site


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