ChemSpider 2D Image | (1S,4S,5S,6S,9beta,11alpha,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-5,6-epoxy-4,9-cyclo-9,10-secocholestan-1-yl beta-D-glucopyranoside | C36H62O10

(1S,4S,5S,6S,9β,11α,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-5,6-epoxy-4,9-cyclo-9,10-secocholestan-1-yl β-D-glucopyranoside

  • Molecular FormulaC36H62O10
  • Average mass654.872 Da
  • Monoisotopic mass654.434326 Da
  • ChemSpider ID9257996

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1S,4S,5S,6S,9β,11α,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-5,6-epoxy-4,9-cyclo-9,10-secocholestan-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4S,5S,6S,9β,11α,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-5,6-epoxy-4,9-cyclo-9,10-secocholestan-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1S,4S,5S,6S,9β,11α,24R)-11,24,25-trihydroxy-9,10,14-triméthyl-5,6-époxy-4,9-cyclo-9,10-sécocholestan-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,5α,6α,9β,10α,11α,17β)-17-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-5,6-epoxy-11-hydroxy-4,4,9,14-tetramethylestran-3-yl [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 421.4±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 172.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.16
ACD/KOC (pH 5.5): 243.64
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.16
ACD/KOC (pH 7.4): 243.63
Polar Surface Area: 173 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 511.9±5.0 cm3

Click to predict properties on the Chemicalize site


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