ChemSpider 2D Image | (3beta)-3-{[2-O-(beta-D-Glucopyranuronosyl)-alpha-D-glucopyranuronosyl]oxy}-11-oxoolean-12-en-30-oate | C42H59O16

(3β)-3-{[2-O-(β-D-Glucopyranuronosyl)-α-D-glucopyranuronosyl]oxy}-11-oxoolean-12-en-30-oate

  • Molecular FormulaC42H59O16
  • Average mass819.910 Da
  • Monoisotopic mass819.381958 Da
  • ChemSpider ID4573885

  • Charge - Charge

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(3β)-3-{[2-O-(β-D-Glucopyranuronosyl)-α-D-glucopyranuronosyl]oxy}-11-oxoolean-12-en-30-oat [German] [ACD/IUPAC Name]
(3β)-3-{[2-O-(β-D-Glucopyranuronosyl)-α-D-glucopyranuronosyl]oxy}-11-oxoolean-12-en-30-oate [ACD/IUPAC Name]
(3β)-3-{[2-O-(β-D-Glucopyranuronosyl)-α-D-glucopyranuronosyl]oxy}-11-oxooléan-12-én-30-oate [French] [ACD/IUPAC Name]
Olean-12-en-30-oic acid, 3-[(2-O-β-D-glucopyranuronosyl-α-D-glucopyranuronosyl)oxy]-11-oxo-, ion(3-), (3β)- [ACD/Index Name]
(3β,20β)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-β-D-glucuronosyl-β-D-glucosiduronic acid
Glycyrrhizic acid
Glycyrrhizin [JAN] [Wiki]
Glycyrrhizinate
glycyrrhizinate(3-)

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

CHEBI:29807 [DBID]
  • Miscellaneous

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

Density:
Boiling Point: 971.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.4±6.0 kJ/mol
Flash Point: 288.1±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.64
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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