ChemSpider 2D Image | Azukisaponin III | C42H66O15

Azukisaponin III

  • Molecular FormulaC42H66O15
  • Average mass810.964 Da
  • Monoisotopic mass810.440186 Da
  • ChemSpider ID390484

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(3β)-24,29-Dihydroxy-29-oxoolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-24,29-Dihydroxy-29-oxoolean-12-en-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronique de (3β)-24,29-dihydroxy-29-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Azukisaponin III
Olean-12-en-29-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranuronosyl)oxy]-24-hydroxy-, (3β)- [ACD/Index Name]
82801-38-5 [RN]
B-D-GLUCOPYRANOSIDURONIC ACID, (3B,4B,20A)-20-CARBOXY-23-HYDROXY-30-NOROLEAN-12-EN-3-YL 2-O-B-D-GLUCOPYRANOSYL- (9CI)

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

C08930 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 942.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.5±6.0 kJ/mol
Flash Point: 278.0±27.8 °C
Index of Refraction: 1.621
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 4
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Polarizability: 80.3±0.5 10-24cm3
Surface Tension: 72.9±5.0 dyne/cm
Molar Volume: 576.4±5.0 cm3

Click to predict properties on the Chemicalize site


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