ChemSpider 2D Image | 6-(Benzylsulfanyl)-N-cyclohexyl-9-(2,3,5-tri-O-acetyl-beta-D-ribofuranosyl)-9H-purin-8-amine | C29H35N5O7S

6-(Benzylsulfanyl)-N-cyclohexyl-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purin-8-amine

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID9367749

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

6-(Benzylsulfanyl)-N-cyclohexyl-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purin-8-amin [German] [ACD/IUPAC Name]
6-(Benzylsulfanyl)-N-cyclohexyl-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-9H-purin-8-amine [ACD/IUPAC Name]
6-(Benzylsulfanyl)-N-cyclohexyl-9-(2,3,5-tri-O-acétyl-β-D-ribofuranosyl)-9H-purin-8-amine [French] [ACD/IUPAC Name]
9H-Purin-8-amine, N-cyclohexyl-6-[(phenylmethyl)thio]-9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.80
ACD/KOC (pH 5.5): 3457.23
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.58
ACD/KOC (pH 7.4): 3472.78
Polar Surface Area: 169 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 55.6±7.0 dyne/cm
Molar Volume: 415.3±7.0 cm3

Click to predict properties on the Chemicalize site


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