ChemSpider 2D Image | 3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one | C11H16N3O14P3

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

  • Molecular FormulaC11H16N3O14P3
  • Average mass507.178 Da
  • Monoisotopic mass506.984497 Da
  • ChemSpider ID8046550
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.838
Molar Refractivity: 90.3±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -5.86
ACD/LogD (pH 5.5): -10.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 284 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 170.8±7.0 dyne/cm
Molar Volume: 204.3±7.0 cm3

Click to predict properties on the Chemicalize site






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