ChemSpider 2D Image | Gonyautoxin 1 | C10H17N7O9S

Gonyautoxin 1

  • Molecular FormulaC10H17N7O9S
  • Average mass411.349 Da
  • Monoisotopic mass411.080841 Da
  • ChemSpider ID30791735

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(3aS,4R,9R,10aS)-2-Amino-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-3a,4,5,6,9,10-hexahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate [ACD/IUPAC Name]
[(3aS,4R,9R,10aS)-2-Amino-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-3a,4,5,6,9,10-hexahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methylcarbamat [German] [ACD/IUPAC Name]
1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 4-[[(aminocarbonyl)oxy]methyl]octahydro-5-hydroxy-2,6-diimino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)- [ACD/Index Name]
60748-39-2 [RN]
Carbamate de [(3aS,4R,9R,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-(sulfooxy)-3a,4,5,6,9,10-hexahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthyle [French] [ACD/IUPAC Name]
Gonyautoxin 1
Gonyautoxin-1

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: 1.976
Molar Refractivity: 78.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -6.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 177.1±7.0 dyne/cm
Molar Volume: 159.8±7.0 cm3

Click to predict properties on the Chemicalize site


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