ChemSpider 2D Image | (3beta,5xi,7alpha)-7-(Hexopyranosyloxy)-3-hydroxylanosta-8,24-dien-21-oic acid | C36H58O9

(3β,5ξ,7α)-7-(Hexopyranosyloxy)-3-hydroxylanosta-8,24-dien-21-oic acid

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID78445025

  • defined stereocentres - 7 of 13 defined stereocentres

More details:

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

(3β,5ξ,7α)-7-(Hexopyranosyloxy)-3-hydroxylanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(3β,5ξ,7α)-7-(Hexopyranosyloxy)-3-hydroxylanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,7α)-7-(hexopyranosyloxy)-3-hydroxylanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 7-(hexopyranosyloxy)-3-hydroxy-, (3β,5ξ,7α)- [ACD/Index Name]
Laetiposide B

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: 233.1±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 431.05
ACD/KOC (pH 5.5): 1472.45
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 6.79
ACD/KOC (pH 7.4): 23.19
Polar Surface Area: 157 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 507.9±5.0 cm3

Click to predict properties on the Chemicalize site


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