ChemSpider 2D Image | (3beta,5beta,17alpha,22beta)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-beta-L-glucopyranosyl-(1->2)-alpha-D-talopyranosyl-(1->2)-alpha-D-mannopyranosiduronic acid | C48H78O18

(3β,5β,17α,22β)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-β-L-glucopyranosyl-(1->2)-α-D-talopyranosyl-(1->2)-α-D-mannopyranosiduronic acid

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID113609046

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(3β,5β,17α,22β)-22,24-Dihydroxyolean-12-en-3-yl 6-deoxy-β-L-glucopyranosyl-(1->2)-α-D-talopyranosyl-(1->2)-α-D-mannopyranosiduronic acid [ACD/IUPAC Name]
(3β,5β,17α,22β)-22,24-Dihydroxyolean-12-en-3-yl-6-desoxy-β-L-glucopyranosyl-(1->2)-α-D-talopyranosyl-(1->2)-α-D-mannopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 6-désoxy-β-L-glucopyranosyl-(1->2)-α-D-talopyranosyl-(1->2)-α-D-mannopyranosiduronique de (3β,5β,17α,22β)-22,24-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
α-D-Mannopyranosiduronic acid, (3β,5β,17α,22β)-22,24-dihydroxyolean-12-en-3-yl O-6-deoxy-β-L-glucopyranosyl-(1->;2)-O-α-D-talopyranosyl-(1->2)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1024.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.5±6.0 kJ/mol
Flash Point: 291.2±27.8 °C
Index of Refraction: 1.622
Molar Refractivity: 234.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 35.64
ACD/KOC (pH 5.5): 76.62
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 7.75
Polar Surface Area: 295 Å2
Polarizability: 93.0±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 666.3±5.0 cm3

Click to predict properties on the Chemicalize site


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