ChemSpider 2D Image | ligurobustoside M | C26H40O15

ligurobustoside M

  • Molecular FormulaC26H40O15
  • Average mass592.587 Da
  • Monoisotopic mass592.236694 Da
  • ChemSpider ID8546671

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

2-(4-Hydroxyphenyl)ethyl 6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->;3)-β-D-glucopyranoside [ACD/IUPAC Name]
2-(4-Hydroxyphenyl)ethyl-6-desoxy-α-L-mannopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-α-L-mannopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranoside de 2-(4-hydroxyphényl)éthyle [French] [ACD/IUPAC Name]
ligurobustoside M
β-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->3)- [ACD/Index Name]
[2-(4-hydroxyphenylethyl)]-[3-O-α-L-rhamnopyranosyl-(1->4)-α-L-rhamnopyranosyl]-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448458/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 868.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 479.0±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.19
ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.17
Polar Surface Area: 237 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 86.5±5.0 dyne/cm
Molar Volume: 380.1±5.0 cm3

Click to predict properties on the Chemicalize site


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