ChemSpider 2D Image | [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

[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 ID26502445

More details:

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

[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]
[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]
3H,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) [ACD/Index Name]
Carbamate de [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]
{4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid
{4-[(carbamoyloxy)methyl]-10,10-dihydroxy-2,6-diimino-hexahydro-1H-pyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid
60508-89-6 [RN]
62258-12-2 [RN]
C16856
Gonyautoxin 2
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

  • Miscellaneous

    • Toxicity:

      Organic Compound; Amine; Ether; Amide; Ester; Food Toxin; Marine Toxin; Metabolite; Animal Toxin; Natural Compound Toxin, Toxin-Target Database T3D4039

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): -6.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.80
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


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