ChemSpider 2D Image | (8S,9S,10R,11S,13S,14S,17S)-17-Glycoloyl-11-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-1,4'-[1,3,2]dioxathietan]-3(2H)-one 2',2'-dioxide | C21H28O8S

(8S,9S,10R,11S,13S,14S,17S)-17-Glycoloyl-11-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-1,4'-[1,3,2]dioxathietan]-3(2H)-one 2',2'-dioxide

  • Molecular FormulaC21H28O8S
  • Average mass440.507 Da
  • Monoisotopic mass440.150482 Da
  • ChemSpider ID66001324
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(8S,9S,10R,11S,13S,14S,17S)-17-Glycoloyl-11-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-1,4'-[1,3,2]dioxathietan]-3(2H)-one 2',2'-dioxide [ACD/IUPAC Name]
Spiro[1H-cyclopenta[a]phenanthrene-1,4'-[1,3,2]dioxathietan]-3(2H)-one, 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-, 2',2'-dioxide, (8S,9S,10R,11S,13S,1 4S,17S)- [ACD/Index Name]
corticosterone sulfate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 625.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 332.3±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.79
ACD/KOC (pH 5.5): 106.84
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.79
ACD/KOC (pH 7.4): 106.84
Polar Surface Area: 136 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

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