ChemSpider 2D Image | [(2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R)-2-amino-4-methylpentanoyl]sulfamate (non-preferred name) | C16H25N7O7S

[(2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R)-2-amino-4-methylpentanoyl]sulfamate (non-preferred name)

  • Molecular FormulaC16H25N7O7S
  • Average mass459.477 Da
  • Monoisotopic mass459.153625 Da
  • ChemSpider ID110449798

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(2R)-2-Amino-4-méthylpentanoyl]sulfamate de [(2S,3R,4S,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
[(2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl [(2R)-2-amino-4-methylpentanoyl]sulfamate (non-preferred name) [ACD/IUPAC Name]
[(2S,3R,4S,5S)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-[(2R)-2-amino-4-methylpentanoyl]sulfamat (non-preferred name) [German] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[(2R)-2-amino-4-methyl-1-oxopentyl]amino]sulfonyl]-β-L-ribofuranosyl]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.761
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 226 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 82.6±7.0 dyne/cm
Molar Volume: 251.0±7.0 cm3

Click to predict properties on the Chemicalize site


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