ChemSpider 2D Image | 9-[3,6-Anhydro-6-carboxylato-5-deoxy-6-(2-{[(2,2-dimethylpropanoyl)oxy]methoxy}-1-hydroxy-2-oxoethyl)hex-4-enofuranosyl]-9H-purin-6-amine | C20H22N5O10

9-[3,6-Anhydro-6-carboxylato-5-deoxy-6-(2-{[(2,2-dimethylpropanoyl)oxy]methoxy}-1-hydroxy-2-oxoethyl)hex-4-enofuranosyl]-9H-purin-6-amine

  • Molecular FormulaC20H22N5O10
  • Average mass492.417 Da
  • Monoisotopic mass492.137207 Da
  • ChemSpider ID21210490

  • Charge - Charge

More details:

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

9-[3,6-Anhydro-6-carboxylato-5-deoxy-6-(2-{[(2,2-dimethylpropanoyl)oxy]methoxy}-1-hydroxy-2-oxoethyl)hex-4-enofuranosyl]-9H-purin-6-amine [ACD/IUPAC Name]
9-[3,6-Anhydro-6-carboxylato-5-desoxy-6-(2-{[(2,2-dimethylpropanoyl)oxy]methoxy}-1-hydroxy-2-oxoethyl)hex-4-enofuranosyl]-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-[3,6-Anhydro-6-carboxylato-5-désoxy-6-(2-{[(2,2-diméthylpropanoyl)oxy]méthoxy}-1-hydroxy-2-oxoéthyl)hex-4-énofuranosyl]-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[3,6-anhydro-6-C-carboxy-5-deoxy-8-[(2,2-dimethyl-1-oxopropoxy)methyl]oct-4-enofuranuronosyl]-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 829.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 221 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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