ChemSpider 2D Image | 2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-arabinofuranosyl]-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C11H17N4O14P3

2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC11H17N4O14P3
  • Average mass522.192 Da
  • Monoisotopic mass521.995422 Da
  • ChemSpider ID2281711

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
2-Amino-7-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-arabinofuranosyl]-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-1,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-arabinofuranosyl]- [ACD/Index Name]
4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-3,7-dihydro-7-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]-

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

AIDS221651 [DBID]
AIDS-221651 [DBID]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 944.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.9±3.0 kJ/mol
Flash Point: 524.8±37.1 °C
Index of Refraction: 1.882
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 18
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.83
ACD/LogD (pH 5.5): -10.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 311 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 189.3±7.0 dyne/cm
Molar Volume: 201.0±7.0 cm3

Click to predict properties on the Chemicalize site


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