ChemSpider 2D Image | Glycyrrhizin | C42H62O16

Glycyrrhizin

  • Molecular FormulaC42H62O16
  • Average mass822.932 Da
  • Monoisotopic mass822.403809 Da
  • ChemSpider ID14263
  • defined stereocentres - 19 of 19 defined stereocentres


More details:






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

(3b,20b)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-b-D-Glucopyranuronosyl-a-D-glucopyranosiduronic Acid
(3β)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-30-Hydroxy-11,30-dioxoolean-12-en-3-yl-2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
1405-86-3 [RN]
20b-Carboxy-11-oxo-30-norolean-12-en-3b-yl-2-O-b-D-glucopyranuronosyl-a-D-glucopyranosiduronic Acid
30-Noroleanane, α-D-glucopyranosiduronic acid deriv
Acide 2-O-β-D-glucopyranuronosyl-α-D-glucopyranosiduronique de (3β)-30-hydroxy-11,30-dioxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Glycyrrhizate
Glycyrrhizic acid
Glycyrrhizin [JAN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000094 [DBID]
AIDS-000094 [DBID]
BRN 0077922 [DBID]
C02284 [DBID]
CHEBI:15939 [DBID]
D00157 [DBID]
GM-1292 [DBID]
HSDB 496 [DBID]
NSC 167409 [DBID]
NSC 234419 [DBID]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
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: 1.621
Molar Refractivity: 201.4±0.4 cm3
#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: 267 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 73.7±5.0 dyne/cm
Molar Volume: 572.6±5.0 cm3

Click to predict properties on the Chemicalize site


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