ChemSpider 2D Image | {[(5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid | C10H17N7O8S

{[(5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid

  • Molecular FormulaC10H17N7O8S
  • Average mass395.349 Da
  • Monoisotopic mass395.085938 Da
  • ChemSpider ID35013618

More details:

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

{[(5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamic acid [ACD/IUPAC Name]
{[(5,10,10-Trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)methoxy]carbonyl}sulfamidsäure [German] [ACD/IUPAC Name]
Acide {[(5,10,10-trihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl)méthoxy]carbonyl}sulfamique [French] [ACD/IUPAC Name]
Carbamic acid, N-sulfo-, (octahydro-5,10,10-trihydroxy-2,6-diimino-1H,8H-pyrrolo[1,2-c]purin-4-yl)methyl ester [ACD/Index Name]
2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydropyrrolo[1,2-c]purine-5,10,10-triol
Gonyautoxin VI
Gonyautoxin-VI
Toxin B2

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: 1.958
Molar Refractivity: 78.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -7.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 240 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 163.1±7.0 dyne/cm
Molar Volume: 161.3±7.0 cm3

Click to predict properties on the Chemicalize site


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