ChemSpider 2D Image | [(10aR)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate | C10H17N7O8S

[(10aR)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate

  • Molecular FormulaC10H17N7O8S
  • Average mass395.349 Da
  • Monoisotopic mass395.085938 Da
  • ChemSpider ID29790026

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

[(10aR)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate [ACD/IUPAC Name]
[(10aR)-2,6-Diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tetrahydro-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, 2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, 9-(hydrogen sulfate), (10aR)- [ACD/Index Name]
Carbamate de [(10aR)-2,6-diamino-10,10-dihydroxy-9-(sulfooxy)-3a,4,9,10-tétrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthyle [French] [ACD/IUPAC Name]
(+)-gonyautoxin 3
(3aS,4R,9R,10aS)-2,6-Diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-9,10,10-triol 9-(hydrogen sulfate)
11b-Hydroxysaxitoxin 11-sulfate
Gonyautoxin 3

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: 1.974
Molar Refractivity: 76.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -7.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 257 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 167.5±7.0 dyne/cm
Molar Volume: 156.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement