ChemSpider 2D Image | 9-(5-O-{[(4-Amino-2-ammonio-4-oxobutanoyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amine | C14H21N7O9P

9-(5-O-{[(4-Amino-2-ammonio-4-oxobutanoyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC14H21N7O9P
  • Average mass462.331 Da
  • Monoisotopic mass462.113281 Da
  • ChemSpider ID22376281

  • Charge - Charge

More details:

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

9-(5-O-{[(4-Amino-2-ammonio-4-oxobutanoyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-O-{[(4-Amino-2-ammonio-4-oxobutanoyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-O-{[(4-Amino-2-ammonio-4-oxobutanoyl)oxy](hydroxy)phosphoryl}pentofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[(2,4-diamino-1,4-dioxobutoxy)hydroxyphosphinyl]pentofuranosyl]-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 895.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 495.6±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.66
ACD/LogD (pH 5.5): -5.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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