ChemSpider 2D Image | [(2r,3s,4r,5r)-5-(6-Azanyl-8-Oxo-7h-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methyl Phosphono Hydrogen Phosphate | C10H15N5O11P2

[(2r,3s,4r,5r)-5-(6-Azanyl-8-Oxo-7h-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methyl Phosphono Hydrogen Phosphate

  • Molecular FormulaC10H15N5O11P2
  • Average mass443.201 Da
  • Monoisotopic mass443.024323 Da
  • ChemSpider ID26325981
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

[(2r,3s,4r,5r)-5-(6-Azanyl-8-Oxo-7h-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]methyl Phosphono Hydrogen Phosphate
62268-76-2 [RN]
8-Hydroadenosine, 8-oxo-, 5'-(trihydrogen diphosphate) [ACD/Index Name]
8OD
8-Oxo-8-hydroadenosin5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
8-Oxo-8-hydroadenosine 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
8-Oxo-8-hydroadénosine-5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.725
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.81
ACD/LogD (pH 5.5): -9.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 148.3±3.0 dyne/cm
Molar Volume: 212.8±3.0 cm3

Click to predict properties on the Chemicalize site






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