ChemSpider 2D Image | 4-Amino-1-(3-deoxy-3-iodo-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone | C9H12IN3O4

4-Amino-1-(3-deoxy-3-iodo-β-D-arabinofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC9H12IN3O4
  • Average mass353.114 Da
  • Monoisotopic mass352.987244 Da
  • ChemSpider ID34242547

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-(3-deoxy-3-iodo-β-D-arabinofuranosyl)- [ACD/Index Name]
4-Amino-1-(3-deoxy-3-iodo-β-D-arabinofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(3-désoxy-3-iodo-β-D-arabinofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4-Amino-1-(3-desoxy-3-iod-β-D-arabinofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 565.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.6±32.9 °C
Index of Refraction: 1.815
Molar Refractivity: 64.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.24
Polar Surface Area: 108 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 85.4±7.0 dyne/cm
Molar Volume: 148.8±7.0 cm3

Click to predict properties on the Chemicalize site


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