ChemSpider 2D Image | 3-(5-Carboxypentyl)-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-6-imino-1,3a,5,6-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C16H25N5O13P2

3-(5-Carboxypentyl)-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-6-imino-1,3a,5,6-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC16H25N5O13P2
  • Average mass557.343 Da
  • Monoisotopic mass557.092407 Da
  • ChemSpider ID95640942

More details:

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

3-(5-Carboxypentyl)-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-6-imino-1,3a,5,6-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
3-(5-Carboxypentyl)-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-6-imino-1,3a,5,6-tetrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
3-(5-Carboxypentyl)-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-6-imino-1,3a,5,6-tétrahydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-(5-carboxypentyl)-1,3a,5,6-tetrahydro-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]pentofuranosyl]-6-imino- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.793
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.59
ACD/LogD (pH 5.5): -10.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 125.5±7.0 dyne/cm
Molar Volume: 259.0±7.0 cm3

Click to predict properties on the Chemicalize site


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