ChemSpider 2D Image | 7-(3-Amino-3-carboxypropyl)-6-methyl-3-(beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one | C17H22N6O7

7-(3-Amino-3-carboxypropyl)-6-methyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one

  • Molecular FormulaC17H22N6O7
  • Average mass422.393 Da
  • Monoisotopic mass422.154999 Da
  • ChemSpider ID58837588

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

7-(3-Amino-3-carboxypropyl)-6-methyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-on [German] [ACD/IUPAC Name]
7-(3-Amino-3-carboxypropyl)-6-methyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [ACD/IUPAC Name]
7-(3-Amino-3-carboxypropyl)-6-méthyl-3-(β-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one [French] [ACD/IUPAC Name]
9H-Imidazo[1,2-a]purin-9-one, 7-(3-amino-3-carboxypropyl)-3,4-dihydro-6-methyl-3-β-D-ribofuranosyl- [ACD/Index Name]
4-demethyl-7-(3-amino-3-carboxypropyl)wyosine
yW-86

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

Density: 2.0±0.1 g/cm3
Boiling Point: 958.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.1±3.0 kJ/mol
Flash Point: 533.2±37.1 °C
Index of Refraction: 1.856
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -4.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 97.5±7.0 dyne/cm
Molar Volume: 213.8±7.0 cm3

Click to predict properties on the Chemicalize site


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