ChemSpider 2D Image | (3beta)-28-Hydroxy-28-oxoolean-12-en-3-yl beta-D-galactopyranosyl-(1->2)-[beta-D-galactopyranosyl-(1->3)]-beta-D-glucopyranosiduronic acid | C48H76O19

(3β)-28-Hydroxy-28-oxoolean-12-en-3-yl β-D-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronic acid

  • Molecular FormulaC48H76O19
  • Average mass957.106 Da
  • Monoisotopic mass956.498108 Da
  • ChemSpider ID154941

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(3β)-28-Hydroxy-28-oxoolean-12-en-3-yl β-D-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
(3β)-28-Hydroxy-28-oxoolean-12-en-3-yl-β-D-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->3)]-β-D-glucopyranosiduronique de (3β)-28-hydroxy-28-oxooléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-galactopyranosyl-(1->2)-O-[β-D-galactopyranosyl-(1->3)]-β-D-glucopyranuronosyl]oxy]-, (3β)- [ACD/Index Name]
156856-38-1 [RN]
B-D-GLUCOPYRANOSIDURONIC ACID, (3B)-17-CARBOXY-28-NOROLEAN-12-EN-3-YLO-B-D-GALACTOPYRANOSYL-(1¸2)-O-[B-D-GALACTOPYRANOSYL-(1¸3)]- (9CI)
Elatoside B
β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl O-β-D-galactopyranosyl-(1-2)-O-(β-D-galactopyranosyl-(1-3))-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1050.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 174.0±6.0 kJ/mol
Flash Point: 299.3±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 234.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.70
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 93.1±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 662.3±5.0 cm3

Click to predict properties on the Chemicalize site


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