ChemSpider 2D Image | (1R,2S,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl sulfamate | C10H14N6O5S

(1R,2S,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl sulfamate

  • Molecular FormulaC10H14N6O5S
  • Average mass330.320 Da
  • Monoisotopic mass330.074646 Da
  • ChemSpider ID23317966

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl sulfamate [ACD/IUPAC Name]
(1R,2S,3S,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-dihydroxycyclopentylsulfamat [German] [ACD/IUPAC Name]
Sulfamate de (1R,2S,3S,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyle [French] [ACD/IUPAC Name]
Sulfamic acid, (1R,2S,3S,4R)-4-(6-amino-9H-purin-9-yl)-2,3-dihydroxycyclopentyl ester [ACD/Index Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 693.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.937
Molar Refractivity: 70.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.86
ACD/LogD (pH 5.5): -1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.47
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.98
Polar Surface Area: 188 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 125.7±7.0 dyne/cm
Molar Volume: 148.0±7.0 cm3

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