ChemSpider 2D Image | (3beta,5xi,9xi,16alpha,21beta)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside | C41H64O13

(3β,5ξ,9ξ,16α,21β)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC41H64O13
  • Average mass764.939 Da
  • Monoisotopic mass764.434692 Da
  • ChemSpider ID9018149

  • defined stereocentres - 17 of 19 defined stereocentres

More details:

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

(3β,5ξ,9ξ,16α,21β)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5ξ,9ξ,16α,21β)-16-Hydroxy-28-oxo-21,28-epoxyolean-12-en-3-yl-6-O-α-L-arabinopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-α-L-Arabinopyranosyl-β-D-glucopyranoside de (3β,5ξ,9ξ,16α,21β)-16-hydroxy-28-oxo-21,28-époxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-28-one, 3-[(6-O-α-L-arabinopyranosyl-β-D-glucopyranosyl)oxy]-21,28-epoxy-16-hydroxy-, (3β,5ξ,9ξ,16α,21β)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 889.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.9±6.0 kJ/mol
Flash Point: 265.2±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 194.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3612.30
ACD/KOC (pH 5.5): 12253.38
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3612.25
ACD/KOC (pH 7.4): 12253.22
Polar Surface Area: 205 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 557.1±5.0 cm3

Click to predict properties on the Chemicalize site


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