ChemSpider 2D Image | (3beta,24S)-3-{[2-O-(beta-D-Galactopyranosyl)-alpha-L-arabinopyranosyl]oxy}-24-hydroxylanosta-8,25-dien-30-oic acid | C41H66O13

(3β,24S)-3-{[2-O-(β-D-Galactopyranosyl)-α-L-arabinopyranosyl]oxy}-24-hydroxylanosta-8,25-dien-30-oic acid

  • Molecular FormulaC41H66O13
  • Average mass766.955 Da
  • Monoisotopic mass766.450317 Da
  • ChemSpider ID17267157

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,24S)-3-{[2-O-(β-D-Galactopyranosyl)-α-L-arabinopyranosyl]oxy}-24-hydroxylanosta-8,25-dien-30-oic acid [ACD/IUPAC Name]
(3β,24S)-3-{[2-O-(β-D-Galactopyranosyl)-α-L-arabinopyranosyl]oxy}-24-hydroxylanosta-8,25-dien-30-säure [German] [ACD/IUPAC Name]
Acide (3β,24S)-3-{[2-O-(β-D-galactopyranosyl)-α-L-arabinopyranosyl]oxy}-24-hydroxylanosta-8,25-dién-30-oïque [French] [ACD/IUPAC Name]
Lanosta-8,25-dien-30-oic acid, 3-[(2-O-β-D-galactopyranosyl-α-L-arabinopyranosyl)oxy]-24-hydroxy-, (3β,24S)- [ACD/Index Name]
(24S)-3β-O[β-D-galactopyranosyl-(1-->2)-α-L-arabinopyranosyl]-14-carboxylanosta-8,25-diene-3β,24-diol
eryloside F3
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL268907/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 883.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.8±6.0 kJ/mol
Flash Point: 260.4±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 197.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 70.12
ACD/KOC (pH 5.5): 377.02
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 5.93
Polar Surface Area: 216 Å2
Polarizability: 78.4±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 579.6±5.0 cm3

Click to predict properties on the Chemicalize site


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