ChemSpider 2D Image | (3beta,5alpha,14beta,24R)-16-Hydroxy-15,23-dioxostigmasta-7,16-dien-3-yl methyl beta-D-glucopyranosiduronate | C36H54O10

(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmasta-7,16-dien-3-yl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC36H54O10
  • Average mass646.808 Da
  • Monoisotopic mass646.371704 Da
  • ChemSpider ID29214423

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmasta-7,16-dien-3-yl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmasta-7,16-dien-3-yl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Stigmasta-7,16-diene-15,23-dione, 16-hydroxy-3-[(6-methyl-β-D-glucopyranuronosyl)oxy]-, (3β,5α,14β,24R)- [ACD/Index Name]
β-D-Glucopyranosiduronate de (3β,5α,14β,24R)-16-hydroxy-15,23-dioxostigmasta-7,16-dién-3-yle et de méthyle [French] [ACD/IUPAC 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: 768.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.5±6.0 kJ/mol
Flash Point: 233.6±26.4 °C
Index of Refraction: 1.573
Molar Refractivity: 169.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6833.67
ACD/KOC (pH 5.5): 19337.90
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6719.10
ACD/KOC (pH 7.4): 19013.70
Polar Surface Area: 160 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 513.3±5.0 cm3

Click to predict properties on the Chemicalize site


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