ChemSpider 2D Image | (3beta)-28-Hydroxylup-20(29)-en-3-yl alpha-L-arabinopyranoside | C35H58O6

(3β)-28-Hydroxylup-20(29)-en-3-yl α-L-arabinopyranoside

  • Molecular FormulaC35H58O6
  • Average mass574.831 Da
  • Monoisotopic mass574.423340 Da
  • ChemSpider ID23297663

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β)-28-Hydroxylup-20(29)-en-3-yl α-L-arabinopyranoside [ACD/IUPAC Name]
(3β)-28-Hydroxylup-20(29)-en-3-yl-α-L-arabinopyranosid [German] [ACD/IUPAC Name]
α-L-Arabinopyranoside de (3β)-28-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (3β)-28-hydroxylup-20(29)-en-3-yl [ACD/Index Name]
(2S,3R,4S,5S)-2-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-yloxy)-tetrahydro-2H-pyran-3,4,5-triol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396944/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 350.0±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 160.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.29
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151501.88
ACD/KOC (pH 5.5): 177713.38
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151501.05
ACD/KOC (pH 7.4): 177712.39
Polar Surface Area: 99 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 491.3±5.0 cm3

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