ChemSpider 2D Image | (2beta,3beta)-3-{[beta-D-Glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl]oxy}-2,23-dihydroxyolean-12-en-28-oic acid | C48H78O20

(2β,3β)-3-{[β-D-Glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl]oxy}-2,23-dihydroxyolean-12-en-28-oic acid

  • Molecular FormulaC48H78O20
  • Average mass975.121 Da
  • Monoisotopic mass974.508667 Da
  • ChemSpider ID9825701

  • 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->3)-β-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl]oxy}-2,23-dihydroxyolean-12-en-28-oic acid [ACD/IUPAC Name]
(2β,3β)-3-{[β-D-Glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl]oxy}-2,23-dihydroxyolean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (2β,3β)-3-{[β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl]oxy}-2,23-dihydroxyoléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[O-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->3)-β-D-galactopyranosyl]oxy]-2,23-dihydroxy-, (2β,3β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1105.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.7±6.0 kJ/mol
Flash Point: 315.4±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 237.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 15.34
ACD/KOC (pH 5.5): 133.19
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 335 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 660.5±5.0 cm3

Click to predict properties on the Chemicalize site


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