ChemSpider 2D Image | (3beta)-3-{[beta-D-Glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid | C47H76O18

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

  • Molecular FormulaC47H76O18
  • Average mass929.096 Da
  • Monoisotopic mass928.503174 Da
  • ChemSpider ID9575265

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β)-3-{[β-D-Glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-{[β-D-Glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-α-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-{[β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->3)-α-L-arabinopyranosyl]oxy}-23-hydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->3)-α-L-arabinopyranosyl]oxy]-23-hydroxy-, (3β)- [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: 1047.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.5±6.0 kJ/mol
Flash Point: 300.6±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 230.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 76.51
ACD/KOC (pH 5.5): 423.59
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 6.67
Polar Surface Area: 295 Å2
Polarizability: 91.2±0.5 10-24cm3
Surface Tension: 76.0±5.0 dyne/cm
Molar Volume: 649.1±5.0 cm3

Click to predict properties on the Chemicalize site


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