ChemSpider 2D Image | (3beta,5alpha,14beta,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl methyl 3-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronate | C41H64O14

(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl methyl 3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronate

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID25058489

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl methyl 3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronate [ACD/IUPAC Name]
(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl-methyl-3-O-β-D-xylopyranosyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
3-O-β-D-Xylopyranosyl-β-D-glucopyranosiduronate de (3β,5α,14β,24R)-16-hydroxy-15,23-dioxostigmast-16-én-3-yle et de méthyle [French] [ACD/IUPAC Name]
Stigmast-16-ene-15,23-dione, 16-hydroxy-3-[(6-methyl-3-O-β-D-xylopyranosyl-β-D-glucopyranuronosyl)oxy]-, (3β,5α,14β,24R)- [ACD/Index Name]
pandaroside H methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 889.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.9±6.0 kJ/mol
Flash Point: 262.4±27.8 °C
Index of Refraction: 1.582
Molar Refractivity: 197.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.38
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1527.13
ACD/KOC (pH 5.5): 6615.94
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1503.84
ACD/KOC (pH 7.4): 6515.07
Polar Surface Area: 219 Å2
Polarizability: 78.1±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 590.4±5.0 cm3

Click to predict properties on the Chemicalize site


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