ChemSpider 2D Image | (4R)-2,6-Diammonio-4-[(carbamoyloxy)methyl]-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl sulfate | C10H18N7O8S

(4R)-2,6-Diammonio-4-[(carbamoyloxy)methyl]-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl sulfate

  • Molecular FormulaC10H18N7O8S
  • Average mass396.357 Da
  • Monoisotopic mass396.093201 Da
  • ChemSpider ID29213247

  • Charge - Charge

    defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(4R)-2,6-Diammonio-4-[(carbamoyloxy)methyl]-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl sulfate [ACD/IUPAC Name]
(4R)-2,6-Diammonio-4-[(carbamoyloxy)methyl]-10,10-dihydroxy-3a,4,9,10-tetrahydro-1H,8H-pyrrolo[1,2-c]purin-9-ylsulfat [German] [ACD/IUPAC Name]
1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol, 4-[[(aminocarbonyl)oxy]methyl]octahydro-2,6-diimino-, 9-(hydrogen sulfate), inner salt, conjugate acid, (4R)- [ACD/Index Name]
Sulfate de (4R)-2,6-diammonio-4-[(carbamoyloxy)méthyl]-10,10-dihydroxy-3a,4,9,10-tétrahydro-1H,8H-pyrrolo[1,2-c]purin-9-yle [French] [ACD/IUPAC Name]
11-hydroxysaxitoxin

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: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.84
ACD/LogD (pH 5.5): -6.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability:
Surface Tension:
Molar Volume:

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