ChemSpider 2D Image | (1S,2S,4R,9beta)-1,24,25-Trihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-2-yl beta-D-glucopyranoside | C36H60O10

(1S,2S,4R,9β)-1,24,25-Trihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-2-yl β-D-glucopyranoside

  • Molecular FormulaC36H60O10
  • Average mass652.856 Da
  • Monoisotopic mass652.418640 Da
  • ChemSpider ID84487525

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1S,2S,4R,9β)-1,24,25-Trihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-2-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,2S,4R,9β)-1,24,25-Trihydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-2-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Estr-5-en-11-one, 17-[(1R)-4,5-dihydroxy-1,5-dimethylhexyl]-2-(β-D-glucopyranosyloxy)-3-hydroxy-4,4,9,14-tetramethyl-, (2β,3α,9β,10α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,2S,4R,9β)-1,24,25-trihydroxy-9,10,14-triméthyl-11-oxo-4,9-cyclo-9,10-sécocholest-5-én-2-yle [French] [ACD/IUPAC Name]
(2S,3S,8S,9R,10R,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Compound NP-023246

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 239.3±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.91
ACD/KOC (pH 5.5): 347.65
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 24.91
ACD/KOC (pH 7.4): 347.64
Polar Surface Area: 177 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 513.6±5.0 cm3

Click to predict properties on the Chemicalize site


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