ChemSpider 2D Image | (3beta,5xi,7alpha)-7-(Hexopyranosyloxy)-3-hydroxy-24-methylenelanost-8-en-21-oic acid | C37H60O9

(3β,5ξ,7α)-7-(Hexopyranosyloxy)-3-hydroxy-24-methylenelanost-8-en-21-oic acid

  • Molecular FormulaC37H60O9
  • Average mass648.867 Da
  • Monoisotopic mass648.423706 Da
  • ChemSpider ID78445347

  • 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-hydroxy-24-methylenelanost-8-en-21-oic acid [ACD/IUPAC Name]
(3β,5ξ,7α)-7-(Hexopyranosyloxy)-3-hydroxy-24-methylenlanost-8-en-21-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,7α)-7-(hexopyranosyloxy)-3-hydroxy-24-méthylènelanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 7-(hexopyranosyloxy)-3-hydroxy-24-methylene-, (3β,5ξ,7α)- [ACD/Index Name]
Laetiposide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 770.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 231.8±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 174.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 589.79
ACD/KOC (pH 5.5): 1841.30
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 9.29
ACD/KOC (pH 7.4): 29.00
Polar Surface Area: 157 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 526.5±5.0 cm3

Click to predict properties on the Chemicalize site


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