ChemSpider 2D Image | (3alpha,12beta,24Z)-12-(beta-D-Glucopyranosyloxy)-3-hydroxy-7-oxolanosta-8,24-dien-26-oic acid | C36H56O10

(3α,12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-hydroxy-7-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC36H56O10
  • Average mass648.824 Da
  • Monoisotopic mass648.387329 Da
  • ChemSpider ID23305541

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-hydroxy-7-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3α,12β,24Z)-12-(β-D-Glucopyranosyloxy)-3-hydroxy-7-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3α,12β,24Z)-12-(β-D-glucopyranosyloxy)-3-hydroxy-7-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 12-(β-D-glucopyranosyloxy)-3-hydroxy-7-oxo-, (3α,12β,24Z)- [ACD/Index Name]
(R,Z)-6-((3R,5R,10S,12R,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-12-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL395861/
Oligoporin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.5±6.0 kJ/mol
Flash Point: 244.3±27.8 °C
Index of Refraction: 1.591
Molar Refractivity: 170.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 101.06
ACD/KOC (pH 5.5): 632.91
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 10.92
Polar Surface Area: 174 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 504.6±5.0 cm3

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