ChemSpider 2D Image | (5E,7E)-9,10-Secocholesta-5,7,10-trien-3-yl hydrogen sulfate | C27H44O4S

(5E,7E)-9,10-Secocholesta-5,7,10-trien-3-yl hydrogen sulfate

  • Molecular FormulaC27H44O4S
  • Average mass464.701 Da
  • Monoisotopic mass464.296021 Da
  • ChemSpider ID28582641

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E,7E)-9,10-Secocholesta-5,7,10-trien-3-yl hydrogen sulfate [ACD/IUPAC Name]
(5E,7E)-9,10-Secocholesta-5,7,10-trien-3-ylhydrogensulfat [German] [ACD/IUPAC Name]
Cyclohexanol, 3-[(2E)-2-[1-(1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, hydrogen sulfate, (3E)- [ACD/Index Name]
Hydrogénosulfate de (5E,7E)-9,10-sécocholesta-5,7,10-trién-3-yle [French] [ACD/IUPAC Name]
10529-43-8 [RN]
Vitamin D3 sulfate

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.537
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 10.05
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 308.89
ACD/KOC (pH 5.5): 213.34
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 308.89
ACD/KOC (pH 7.4): 213.34
Polar Surface Area: 72 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 421.9±5.0 cm3

Click to predict properties on the Chemicalize site


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