ChemSpider 2D Image | Methyl (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoate | C10H13N5O3

Methyl (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoate

  • Molecular FormulaC10H13N5O3
  • Average mass251.242 Da
  • Monoisotopic mass251.101837 Da
  • ChemSpider ID24708589

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-(6-Amino-9H-purin-9-yl)-2-hydroxybutanoate de méthyle [French] [ACD/IUPAC Name]
9H-Purine-9-butanoic acid, 6-amino-α-hydroxy-, methyl ester, (αS)- [ACD/Index Name]
Methyl (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoate [ACD/IUPAC Name]
Methyl-(2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoat [German] [ACD/IUPAC Name]
METHYL (2S)-4-(6-AMINOPURIN-9-YL)-2-HYDROXYBUTANOATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 529.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 273.9±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 61.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.01
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.08
Polar Surface Area: 116 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 158.5±7.0 cm3

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