ChemSpider 2D Image | {1,1-Dihydroxy-2-[(10R,10aS)-4,4,9-trihydroxy-2,8-diimino-2,3,8,9,10,10a-hexahydro-1H,4H-pyrazolo[1,5-c]pyrrolo[3,2-d]pyrimidin-10-yl]ethyl}sulfamic acid | C10H17N7O8S

{1,1-Dihydroxy-2-[(10R,10aS)-4,4,9-trihydroxy-2,8-diimino-2,3,8,9,10,10a-hexahydro-1H,4H-pyrazolo[1,5-c]pyrrolo[3,2-d]pyrimidin-10-yl]ethyl}sulfamic acid

  • Molecular FormulaC10H17N7O8S
  • Average mass395.349 Da
  • Monoisotopic mass395.085938 Da
  • ChemSpider ID58817662

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{1,1-Dihydroxy-2-[(10R,10aS)-4,4,9-trihydroxy-2,8-diimino-2,3,8,9,10,10a-hexahydro-1H,4H-pyrazolo[1,5-c]pyrrolo[3,2-d]pyrimidin-10-yl]ethyl}sulfamic acid [ACD/IUPAC Name]
{1,1-Dihydroxy-2-[(10R,10aS)-4,4,9-trihydroxy-2,8-diimino-2,3,8,9,10,10a-hexahydro-1H,4H-pyrazolo[1,5-c]pyrrolo[3,2-d]pyrimidin-10-yl]ethyl}sulfamidsäure [German] [ACD/IUPAC Name]
Acide {1,1-dihydroxy-2-[(10R,10aS)-4,4,9-trihydroxy-2,8-diimino-2,3,8,9,10,10a-hexahydro-1H,4H-pyrazolo[1,5-c]pyrrolo[3,2-d]pyrimidin-10-yl]éthyl}sulfamique [French] [ACD/IUPAC Name]
Sulfamic acid, N-[2-[(10R,10aS)-2,3,8,9,10,10a-hexahydro-4,4,9-trihydroxy-2,8-diimino-1H,4H-pyrazolo[1,5-c]pyrrolo[3,2-d]pyrimidin-10-yl]-1,1-dihydroxyethyl]- [ACD/Index Name]
82810-44-4 [RN]
Gonyautoxin VI

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: 1.993
Molar Refractivity: 78.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.89
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 255 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 181.4±7.0 dyne/cm
Molar Volume: 157.4±7.0 cm3

Click to predict properties on the Chemicalize site


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