ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,14beta,17alpha,18alpha,22alpha)-22,23-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-D-mannopyranosyl-(1->2)-beta-L-galactopyranosyl-(1->2)-beta-L-glucopyranosiduronic acid | C48H78O18

(3α,5β,8α,9β,10α,14β,17α,18α,22α)-22,23-Dihydroxyolean-12-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-β-L-galactopyranosyl-(1->2)-β-L-glucopyranosiduronic acid

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID82964544

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,14β,17α,18α,22α)-22,23-Dihydroxyolean-12-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-β-L-galactopyranosyl-(1->2)-β-L-glucopyranosiduronic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,14β,17α,18α,22α)-22,23-Dihydroxyolean-12-en-3-yl-6-desoxy-α-D-mannopyranosyl-(1->2)-β-L-galactopyranosyl-(1->2)-β-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 6-désoxy-α-D-mannopyranosyl-(1->2)-β-L-galactopyranosyl-(1->2)-β-L-glucopyranosiduronique de (3α,5β,8α,9β,10α,14β,17α,18α,22α)-22,23-dihydroxyoléan-12- 
én-3-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranosiduronic acid, (3α,5β,8α,9β,10α,14β,17α,18α,22α)-22,23-dihydroxyolean-12-en-3-yl O-6-deoxy-α-D-mannopyranosyl-(1->2)-O-β-L-galactopyranosyl-( 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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