ChemSpider 2D Image | ({[(3aS,4R,10aS)-9,9,10,10-Tetrahydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid | C10H17N7O9S

({[(3aS,4R,10aS)-9,9,10,10-Tetrahydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid

  • Molecular FormulaC10H17N7O9S
  • Average mass411.349 Da
  • Monoisotopic mass411.080841 Da
  • ChemSpider ID95600912

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

({[(3aS,4R,10aS)-9,9,10,10-Tetrahydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid [ACD/IUPAC Name]
({[(3aS,4R,10aS)-9,9,10,10-Tetrahydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamidsäure [German] [ACD/IUPAC Name]
Acide ({[(3aS,4R,10aS)-9,9,10,10-tétrahydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthoxy}carbonyl)sulfamique [French] [ACD/IUPAC Name]
Carbamic acid, N-sulfo-, [(3aS,4R,10aS)-octahydro-9,9,10,10-tetrahydroxy-2,6-diimino-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl ester [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.999
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -6.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 185.7±7.0 dyne/cm
Molar Volume: 157.8±7.0 cm3

Click to predict properties on the Chemicalize site


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