ChemSpider 2D Image | {[(2,6-Diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid | C10H17N7O7S

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

  • Molecular FormulaC10H17N7O7S
  • Average mass379.350 Da
  • Monoisotopic mass379.091003 Da
  • ChemSpider ID28567954

More details:

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

{[(2,6-Diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid [ACD/IUPAC Name]
{[(2,6-Diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamidsäure [German] [ACD/IUPAC Name]
Acide {[(2,6-diamino-10,10-dihydroxy-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-, (2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-3H,8H-pyrrolo[1,2-c]purin-4-yl)methyl ester [ACD/Index Name]
2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-10,10-diol
2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
64296-25-9 [RN]
6624-59-5 [RN]
C20018
Gonyautoxin 5
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.956
Molar Refractivity: 76.6±0.5 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.83
ACD/LogD (pH 5.5): -6.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 234 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 154.0±7.0 dyne/cm
Molar Volume: 157.9±7.0 cm3

Click to predict properties on the Chemicalize site


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