ChemSpider 2D Image | 9-(5-O-{[(2S)-2-Hydroxy-4-methylpentanoyl]sulfamoyl}-beta-D-arabinofuranosyl)-9H-purin-6-amine | C16H24N6O8S

9-(5-O-{[(2S)-2-Hydroxy-4-methylpentanoyl]sulfamoyl}-β-D-arabinofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC16H24N6O8S
  • Average mass460.462 Da
  • Monoisotopic mass460.137634 Da
  • ChemSpider ID128444496

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

9-(5-O-{[(2S)-2-Hydroxy-4-methylpentanoyl]sulfamoyl}-β-D-arabinofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-O-{[(2S)-2-Hydroxy-4-methylpentanoyl]sulfamoyl}-β-D-arabinofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-O-{[(2S)-2-Hydroxy-4-méthylpentanoyl]sulfamoyl}-β-D-arabinofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-[[[(2S)-2-hydroxy-4-methyl-1-oxopentyl]amino]sulfonyl]-β-D-arabinofuranosyl]- [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: 0.01
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
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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