ChemSpider 2D Image | 4-Amino-1-{5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]-beta-D-arabinofuranosyl}-2(1H)-pyrimidinone | C9H13N3O14P3

4-Amino-1-{5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC9H13N3O14P3
  • Average mass480.134 Da
  • Monoisotopic mass479.962677 Da
  • ChemSpider ID77422486

  • Charge - Charge

    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-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]-, ion(3-) [ACD/Index Name]
4-Amino-1-{5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]-β-D-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[({[(hydroxyphosphinato)oxy]phosphinato}oxy)phosphinato]-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:
Boiling Point: 849.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.3±6.0 kJ/mol
Flash Point: 467.4±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.52
ACD/LogD (pH 5.5): -11.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 306 Å2
Polarizability:
Surface Tension:
Molar Volume:

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