ChemSpider 2D Image | 2-Amino-3-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)-3-methylbutanoic acid | C15H22N6O5S

2-Amino-3-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)-3-methylbutanoic acid

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID28692306

More details:

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

2-Amino-3-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)-3-methylbutanoic acid [ACD/IUPAC Name]
2-Amino-3-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}sulfanyl)-3-methylbutansäure [German] [ACD/IUPAC Name]
Acide 2-amino-3-({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyl}sulfanyl)-3-méthylbutanoïque [French] [ACD/IUPAC Name]
88643-32-7 [RN]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 753.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.3±35.7 °C
Index of Refraction: 1.793
Molar Refractivity: 93.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 208 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 83.9±7.0 dyne/cm
Molar Volume: 220.7±7.0 cm3

Click to predict properties on the Chemicalize site


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