ChemSpider 2D Image | ({[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid | C10H17N7O8S

({[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid

  • Molecular FormulaC10H17N7O8S
  • Average mass395.349 Da
  • Monoisotopic mass395.085938 Da
  • ChemSpider ID78431334

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

({[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid [ACD/IUPAC Name]
({[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-5-oxido-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamidsäure [German] [ACD/IUPAC Name]
Acide ({[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-5-oxydo-3a,4,9,10-tétrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthoxy}carbonyl)sulfamique [French] [ACD/IUPAC Name]
Carbamic acid, N-sulfo-, [(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-5-oxido-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: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.958
Molar Refractivity: 78.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.23
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 250 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 163.1±7.0 dyne/cm
Molar Volume: 161.3±7.0 cm3

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