ChemSpider 2D Image | 7-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-L-erythro-pentofuranosyl]-2-imino-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | C11H17N4O13P3

7-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-2-imino-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

  • Molecular FormulaC11H17N4O13P3
  • Average mass506.193 Da
  • Monoisotopic mass506.000488 Da
  • ChemSpider ID68026931

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 7-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-L-erythro-pentofuranosyl]-1,2,3,7-tetrahydro-2-imino- [ACD/Index Name]
7-[2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-2-imino-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [ACD/IUPAC Name]
7-[2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-2-imino-1,2,3,7-tetrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
7-[2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-érythro-pentofuranosyl]-2-imino-1,2,3,7-tétrahydro-4H-pyrrolo[2,3-d]pyrimidin-4-one [French] [ACD/IUPAC Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.854
Molar Refractivity: 91.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.35
ACD/LogD (pH 5.5): -10.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 173.9±7.0 dyne/cm
Molar Volume: 203.8±7.0 cm3

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