ChemSpider 2D Image | 4-Amino-1-[(2xi)-5-O-phosphono-beta-L-threo-pentofuranosyl]-2(1H)-pyrimidinone | C9H14N3O8P

4-Amino-1-[(2ξ)-5-O-phosphono-β-L-threo-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H14N3O8P
  • Average mass323.197 Da
  • Monoisotopic mass323.051849 Da
  • ChemSpider ID117035406

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(2ξ)-5-O-phosphono-β-L-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(2ξ)-5-O-phosphono-β-L-threo-pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-phosphono-β-L-threo-pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(2ξ)-5-O-phosphono-β-L-thréo-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 678.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.9±6.0 kJ/mol
Flash Point: 363.9±34.3 °C
Index of Refraction: 1.775
Molar Refractivity: 62.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -6.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 121.6±7.0 dyne/cm
Molar Volume: 150.0±7.0 cm3

Click to predict properties on the Chemicalize site


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