ChemSpider 2D Image | (3beta,22beta)-22-Hydroxy-24-oxoolean-12-en-3-yl beta-D-glucopyranosyl-(1->2)-beta-D-gulopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid | C48H76O19

(3β,22β)-22-Hydroxy-24-oxoolean-12-en-3-yl β-D-glucopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-β-D-glucopyranosiduronic acid

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID88298391

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(3β,22β)-22-Hydroxy-24-oxoolean-12-en-3-yl β-D-glucopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β,22β)-22-Hydroxy-24-oxoolean-12-en-3-yl-β-D-glucopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosyl-(1->2)-β-D-gulopyranosyl-(1->2)-β-D-glucopyranosiduronique de (3β,22β)-22-hydroxy-24-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-24-al, 3-[[O-β-D-glucopyranosyl-(1->2)-O-β-D-gulopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy]-22-hydroxy-, (3β,22β)- [ACD/Index Name]
192062-55-8 [RN]
Sandosaponin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1048.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 173.7±6.0 kJ/mol
Flash Point: 298.8±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 235.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 9.19
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 93.2±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 663.1±5.0 cm3

Click to predict properties on the Chemicalize site


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