ChemSpider 2D Image | (2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,6-trimethyl-2-octanyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triyl trisulfate | C30H51O12S3

(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,6-trimethyl-2-octanyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triyl trisulfate

  • Molecular FormulaC30H51O12S3
  • Average mass699.915 Da
  • Monoisotopic mass699.255920 Da
  • ChemSpider ID28533774

  • Charge - Charge

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,6-trimethyl-2-octanyl]hexadecahydro-1H-cyclopenta[a]phenanthren-2,3,6-triyltrisulfat [German] [ACD/IUPAC Name]
(2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,6-trimethyl-2-octanyl]hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,6-triyl trisulfate [ACD/IUPAC Name]
Trisulfate de (2S,3S,5S,6S,8S,9S,10R,13R,14S,17R)-10,13-diméthyl-17-[(2R)-5,6,6-triméthyl-2-octanyl]hexadécahydro-1H-cyclopenta[a]phénanthrène-2,3,6-triyle [French] [ACD/IUPAC Name]
halistanol sulfate F(3-)
  • Miscellaneous

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: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.81
ACD/LogD (pH 5.5): -3.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability:
Surface Tension:
Molar Volume:

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