ChemSpider 2D Image | (2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-Hepten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,3-diyl bis(hydrogen sulfate) | C26H44O8S2

(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-Hepten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,3-diyl bis(hydrogen sulfate)

  • Molecular FormulaC26H44O8S2
  • Average mass548.753 Da
  • Monoisotopic mass548.247742 Da
  • ChemSpider ID154387

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-Hepten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-2,3-diylbis(hydrogensulfat) [German] [ACD/IUPAC Name]
(2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-Hepten-2-yl]-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-2,3-diyl bis(hydrogen sulfate) [ACD/IUPAC Name]
Bis(hydrogénosulfate) de (2S,3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-heptén-2-yl]-10,13-diméthylhexadécahydro-1H-cyclopenta[a]phénanthrène-2,3-diyle [French] [ACD/IUPAC Name]
176666-83-4 [RN]
27-Norcholest-25-ene-2,3-diol, disulfate, (2β,3α,5α)-
halistanol disulfate B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462739/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.563
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.33
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 425.1±5.0 cm3

Click to predict properties on the Chemicalize site


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