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ChemSpider 2D Image | 2-Benzyl-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol | C17H19N4O8P

2-Benzyl-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol

  • Molecular FormulaC17H19N4O8P
  • Average mass438.328 Da
  • Monoisotopic mass438.094055 Da
  • ChemSpider ID24656377

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Benzyl-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol [German] [ACD/IUPAC Name]
2-Benzyl-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol [ACD/IUPAC Name]
2-Benzyl-9-(5-O-phosphono-L-ribofuranosyl)-9H-purin-6-ol [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 2-(phenylmethyl)-9-(5-O-phosphono-L-ribofuranosyl)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 706.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.2±35.7 °C
Index of Refraction: 1.784
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -4.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 94.4±7.0 dyne/cm
Molar Volume: 234.1±7.0 cm3

Click to predict properties on the Chemicalize site


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