ChemSpider 2D Image | ({[(3aS,4R,9S,10aS)-2,6-Diammonio-9,10,10-trihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamate | C10H18N7O8S

({[(3aS,4R,9S,10aS)-2,6-Diammonio-9,10,10-trihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamate

  • Molecular FormulaC10H18N7O8S
  • Average mass396.357 Da
  • Monoisotopic mass396.093201 Da
  • ChemSpider ID28285557

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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({[(3aS,4R,9S,10aS)-2,6-Diammonio-9,10,10-trihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamat [German] [ACD/IUPAC Name]
({[(3aS,4R,9S,10aS)-2,6-Diammonio-9,10,10-trihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamate [ACD/IUPAC Name]
({[(3aS,4R,9S,10aS)-2,6-Diammonio-9,10,10-trihydroxy-3a,4,9,10-tétrahydro-1H,8H-pyrrolo[1,2-c]purin-4-yl]méthoxy}carbonyl)sulfamate [French] [ACD/IUPAC Name]
Carbamic acid, N-sulfo-, [(3aS,4R,9S,10aS)-octahydro-9,10,10-trihydroxy-2,6-diimino-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyl ester, inner salt, conjugate acid [ACD/Index Name]
11b-hydroxy-N21-sulfocarbamoylsaxitoxin
11B-hydroxy-N21-sulfocarbamoyl-saxitoxin

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -6.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 255 Å2
Polarizability:
Surface Tension:
Molar Volume:

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