ChemSpider 2D Image | (2S,3R,4S,5R)-N-[(2S,3R)-2-amino-3-hydroxy-butanoyl]-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carboxamide | C15H21N7O7

(2S,3R,4S,5R)-N-[(2S,3R)-2-amino-3-hydroxy-butanoyl]-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carboxamide

  • Molecular FormulaC15H21N7O7
  • Average mass411.370 Da
  • Monoisotopic mass411.150238 Da
  • ChemSpider ID24807252
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

Threonylcarbamoyl adenosine

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.834
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 103.0±7.0 dyne/cm
Molar Volume: 206.3±7.0 cm3

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