ChemSpider 2D Image | 9-[(4Z)-5-O-Phosphono-beta-D-erythro-pent-4-enofuranosyl]-9H-purin-6-ol | C10H11N4O8P

9-[(4Z)-5-O-Phosphono-β-D-erythro-pent-4-enofuranosyl]-9H-purin-6-ol

  • Molecular FormulaC10H11N4O8P
  • Average mass346.190 Da
  • Monoisotopic mass346.031464 Da
  • ChemSpider ID61714819
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

6H-Purin-6-one, 1,9-dihydro-9-[(4Z)-5-O-phosphono-β-D-erythro-pent-4-enofuranosyl]- [ACD/Index Name]
9-[(4Z)-5-O-Phosphono-β-D-erythro-pent-4-enofuranosyl]-1,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[(4Z)-5-O-Phosphono-β-D-erythro-pent-4-enofuranosyl]-1,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
9-[(4Z)-5-O-Phosphono-β-D-érythro-pent-4-énofuranosyl]-1,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
9-[(4Z)-5-O-Phosphono-β-D-erythro-pent-4-enofuranosyl]-9H-purin-6-ol [German] [ACD/IUPAC Name]
9-[(4Z)-5-O-Phosphono-β-D-erythro-pent-4-enofuranosyl]-9H-purin-6-ol [ACD/IUPAC Name]
9-[(4Z)-5-O-Phosphono-β-D-érythro-pent-4-énofuranosyl]-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[(4Z)-5-O-phosphono-β-D-erythro-pent-4-enofuranosyl]- [ACD/Index Name]
IMP
Inosinic acid [Wiki]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 755.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 410.9±35.7 °C
Index of Refraction: 1.882
Molar Refractivity: 68.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -6.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 137.4±7.0 dyne/cm
Molar Volume: 150.1±7.0 cm3

Click to predict properties on the Chemicalize site






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