ChemSpider 2D Image | (3alpha,5beta)-Cholane-3,24-diyl dimethanesulfonate | C26H46O6S2

(3α,5β)-Cholane-3,24-diyl dimethanesulfonate

  • Molecular FormulaC26H46O6S2
  • Average mass518.770 Da
  • Monoisotopic mass518.273560 Da
  • ChemSpider ID218350

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5β)-Cholan-3,24-diyl-dimethansulfonat [German] [ACD/IUPAC Name]
(3α,5β)-Cholane-3,24-diyl dimethanesulfonate [ACD/IUPAC Name]
Cholane-3,24-diol, dimethanesulfonate, (3α,5β)- [ACD/Index Name]
Diméthanesulfonate de (3α,5β)-cholane-3,24-diyle [French] [ACD/IUPAC Name]
(3R,8R,9S,10R,13S)-10,13-dimethyl-17-((R)-5-(methylsulfonyloxy)pentan-2-yl)hexadeca-hydro-1H-cyclopenta[a]phenanthren-3-yl methanesulfonate
3752-56-5 [RN]
naphthalen-1-yl(diphenyl)arsane

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

NSC67657 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 637.9±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 339.6±22.9 °C
Index of Refraction: 1.535
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30832.68
ACD/KOC (pH 5.5): 56861.58
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30832.68
ACD/KOC (pH 7.4): 56861.58
Polar Surface Area: 104 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 434.7±5.0 cm3

Click to predict properties on the Chemicalize site


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