ChemSpider 2D Image | [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydro-2-furanyl]methyl [(2S,3S)-2-amino-3-methylpentanoyl]sulfamate (non-preferred name) | C16H24N6O8S

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

  • Molecular FormulaC16H24N6O8S
  • Average mass460.462 Da
  • Monoisotopic mass460.137634 Da
  • ChemSpider ID34258478

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydro-2-furanyl]methyl [(2S,3S)-2-amino-3-methylpentanoyl]sulfamate (non-preferred name) [ACD/IUPAC Name]
[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydro-2-furanyl]methyl-[(2S,3S)-2-amino-3-methylpentanoyl]sulfamat (non-preferred name) [German] [ACD/IUPAC Name]
[(2S,3S)-2-Amino-3-méthylpentanoyl]sulfamate de [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tétrahydro-2-furanyl]méthyle (non-preferred name) [French] [ACD/IUPAC Name]
9H-Purin-6-ol, 9-[5-O-[[[(2S,3S)-2-amino-3-methyl-1-oxopentyl]amino]sulfonyl]-β-D-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: 1.748
Molar Refractivity: 102.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 81.3±7.0 dyne/cm
Molar Volume: 251.5±7.0 cm3

Click to predict properties on the Chemicalize site


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