ChemSpider 2D Image | (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis(hydrogen sulfate) | C6H12O24S6

(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis(hydrogen sulfate)

  • Molecular FormulaC6H12O24S6
  • Average mass660.535 Da
  • Monoisotopic mass659.804260 Da
  • ChemSpider ID18786070

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanehexayl hexakis(hydrogen sulfate) [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-Cyclohexanhexaylhexakis(hydrogensulfat) [German] [ACD/IUPAC Name]
1,2,3,4,5,6-Cyclohexanehexol, hexakis(hydrogen sulfate), (1α,2α,3α,4β,5α,6β)- [ACD/Index Name]
Hexakis(hydrogénosulfate) de (1R,2S,3r,4R,5S,6s)-1,2,3,4,5,6-cyclohexanehexayle [French] [ACD/IUPAC Name]
D-Myo-Inositol-Hexasulphate
IHS

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.732
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 24
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -13.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 432 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 190.2±5.0 dyne/cm
Molar Volume: 250.6±5.0 cm3

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