ChemSpider 2D Image | 9-(5-O-Sulfamoyl-alpha-L-arabinofuranosyl)-9H-purin-6-amine | C10H14N6O6S

9-(5-O-Sulfamoyl-α-L-arabinofuranosyl)-9H-purin-6-amine

  • Molecular FormulaC10H14N6O6S
  • Average mass346.320 Da
  • Monoisotopic mass346.069550 Da
  • ChemSpider ID26329861

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
9-(5-O-Sulfamoyl-α-L-arabinofuranosyl)-9H-purin-6-amin [German] [ACD/IUPAC Name]
9-(5-O-Sulfamoyl-α-L-arabinofuranosyl)-9H-purin-6-amine [ACD/IUPAC Name]
9-(5-O-Sulfamoyl-α-L-arabinofuranosyl)-9H-purin-6-amine [French] [ACD/IUPAC Name]
9H-Purin-6-amine, 9-[5-O-(aminosulfonyl)-α-L-arabinofuranosyl]- [ACD/Index Name]
[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate

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

Density: 2.2±0.1 g/cm3
Boiling Point: 762.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 414.9±35.7 °C
Index of Refraction: 1.906
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.05
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.17
Polar Surface Area: 197 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 123.3±7.0 dyne/cm
Molar Volume: 154.4±7.0 cm3

Click to predict properties on the Chemicalize site


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