ChemSpider 2D Image | (12beta,24Z)-12-(beta-D-Glucopyranosyloxy)-3-oxolanosta-7,9(11),24-trien-26-oic acid | C36H54O9

(12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-oxolanosta-7,9(11),24-trien-26-oic acid

  • Molecular FormulaC36H54O9
  • Average mass630.809 Da
  • Monoisotopic mass630.376770 Da
  • ChemSpider ID23305539

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-oxolanosta-7,9(11),24-trien-26-oic acid [ACD/IUPAC Name]
(12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-oxolanosta-7,9(11),24-trien-26-säure [German] [ACD/IUPAC Name]
Acide (12β,24Z)-12-(β-D-glucopyranosyloxy)-3-oxolanosta-7,9(11),24-trién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11),24-trien-26-oic acid, 12-(β-D-glucopyranosyloxy)-3-oxo-, (12β,24Z)- [ACD/Index Name]
(R,Z)-2-methyl-6-((5R,10S,12R,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-12-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-2,3,4,5,6,10,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)hept-2-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395860/
OLIGOPORIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 241.6±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 168.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 193.17
ACD/KOC (pH 5.5): 1006.61
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 17.38
Polar Surface Area: 154 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 500.1±5.0 cm3

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