ChemSpider 2D Image | Medicagenic acid 3-O-triglucoside | C48H76O21

Medicagenic acid 3-O-triglucoside

  • Molecular FormulaC48H76O21
  • Average mass989.104 Da
  • Monoisotopic mass988.487915 Da
  • ChemSpider ID390506

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(2β,3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-2-hydroxyolean-12-en-23,28-disäure [German] [ACD/IUPAC Name]
(2β,3β)-3-{[β-D-Glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-2-hydroxyolean-12-ene-23,28-dioic acid [ACD/IUPAC Name]
Acide (2β,3β)-3-{[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy}-2-hydroxyoléan-12-ène-23,28-dioïque [French] [ACD/IUPAC Name]
Medicagenic acid 3-O-triglucoside
Olean-12-ene-23,28-dioic acid, 3-[[O-β-D-glucopyranosyl-(1->6)-O-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl]oxy]-2-hydroxy-, (2β,3β)- [ACD/Index Name]
37838-43-0 [RN]

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

C08959 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1120.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.3±6.0 kJ/mol
Flash Point: 319.8±27.8 °C
Index of Refraction: 1.644
Molar Refractivity: 237.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.92
ACD/LogD (pH 7.4): -1.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 353 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 84.4±5.0 dyne/cm
Molar Volume: 657.1±5.0 cm3

Click to predict properties on the Chemicalize site


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