ChemSpider 2D Image | (1S,4R,8beta,9beta,11alpha,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C42H72O14

(1S,4R,8β,9β,11α,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID65047927

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(1S,4R,8β,9β,11α,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,8β,9β,11α,24R)-11,24,25-Trihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-1-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S,4R,8β,9β,11α,24R)-11,24,25-trihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-én-1-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,8α,9β,10α,11α,17β)-17-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]-11-hydroxy-4,4,9,14-tetramethylestr-5-en-3-yl 6-O-β-D-glucopyranosyl- [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: 914.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.9±6.0 kJ/mol
Flash Point: 506.7±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 205.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.13
ACD/KOC (pH 5.5): 444.39
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.13
ACD/KOC (pH 7.4): 444.39
Polar Surface Area: 239 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 600.4±5.0 cm3

Click to predict properties on the Chemicalize site


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