ChemSpider 2D Image | {(2R,3R,4S,5S)-5-[(4R)-6-Amino-1,4-dihydro-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl [(2R)-2-amino-4-(methylsulfanyl)butanoyl]sulfamate | C15H25N7O7S2

{(2R,3R,4S,5S)-5-[(4R)-6-Amino-1,4-dihydro-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl [(2R)-2-amino-4-(methylsulfanyl)butanoyl]sulfamate

  • Molecular FormulaC15H25N7O7S2
  • Average mass479.532 Da
  • Monoisotopic mass479.125671 Da
  • ChemSpider ID16744116

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R)-2-Amino-4-(méthylsulfanyl)butanoyl]sulfamate de {(2R,3R,4S,5S)-5-[(4R)-6-amino-1,4-dihydro-9H-purin-9-yl]-3,4-dihydroxytétrahydro-2-furanyl}méthyle [French] [ACD/IUPAC Name]
{(2R,3R,4S,5S)-5-[(4R)-6-Amino-1,4-dihydro-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl [(2R)-2-amino-4-(methylsulfanyl)butanoyl]sulfamate [ACD/IUPAC Name]
{(2R,3R,4S,5S)-5-[(4R)-6-Amino-1,4-dihydro-9H-purin-9-yl]-3,4-dihydroxytetrahydro-2-furanyl}methyl-[(2R)-2-amino-4-(methylsulfanyl)butanoyl]sulfamat [German] [ACD/IUPAC Name]
1H-Purin-6-amine, 9-[5-O-[[[(2R)-2-amino-4-(methylthio)-1-oxobutyl]amino]sulfonyl]-α-D-lyxofuranosyl]-4,9-dihydro-, (4R)- [ACD/Index Name]

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

LI7 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.797
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 248 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 92.0±7.0 dyne/cm
Molar Volume: 250.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement