ChemSpider 2D Image | (3beta,5alpha,14beta,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl 4-O-(6-deoxy-alpha-D-mannopyranosyl)-beta-D-glucopyranosiduronic acid | C41H64O14

(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl 4-O-(6-deoxy-α-D-mannopyranosyl)-β-D-glucopyranosiduronic acid

  • Molecular FormulaC41H64O14
  • Average mass780.938 Da
  • Monoisotopic mass780.429626 Da
  • ChemSpider ID25031060
  • defined stereocentres - 19 of 19 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 4-O-(6-deoxy-α-D-mannopyranosyl)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,5α,14β,24R)-16-Hydroxy-15,23-dioxostigmast-16-en-3-yl-4-O-(6-desoxy-α-D-mannopyranosyl)-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 4-O-(6-désoxy-α-D-mannopyranosyl)-β-D-glucopyranosiduronique de (3β,5α,14β,24R)-16-hydroxy-15,23-dioxostigmast-16-én-3-yle [French] [ACD/IUPAC Name]
Stigmast-16-ene-15,23-dione, 3-[[4-O-(6-deoxy-α-D-mannopyranosyl)-β-D-glucopyranuronosyl]oxy]-16-hydroxy-, (3β,5α,14β,24R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 917.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.4±6.0 kJ/mol
Flash Point: 271.7±27.8 °C
Index of Refraction: 1.591
Molar Refractivity: 196.8±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 230 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 582.3±5.0 cm3

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