ChemSpider 2D Image | [(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (aminoacetyl)sulfamate | C12H17N7O7S

[(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (aminoacetyl)sulfamate

  • Molecular FormulaC12H17N7O7S
  • Average mass403.371 Da
  • Monoisotopic mass403.091003 Da
  • ChemSpider ID25057813

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2-Aminoacétyl)sulfamate de [(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
[(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (aminoacetyl)sulfamate [ACD/IUPAC Name]
[(2S,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(aminoacetyl)sulfamat [German] [ACD/IUPAC Name]
[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (aminoacetyl)sulfamate
9H-Purin-6-amine, 9-[5-O-[[(2-aminoacetyl)amino]sulfonyl]-α-L-arabinofuranosyl]- [ACD/Index Name]
DRV

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.865
Molar Refractivity: 85.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.69
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 114.9±7.0 dyne/cm
Molar Volume: 188.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement