ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,14beta,16beta,17alpha,18alpha)-16,28-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-D-mannopyranosyl-(1->2)-[beta-L-glucopyranosyl-(1->6)-beta-L-galactopyranosyl-(1->4)]-be ta-L-galactopyranosiduronic acid | C54H88O23

(3α,5β,8α,9β,10α,14β,16β,17α,18α)-16,28-Dihydroxyolean-12-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->6)-β-L-galactopyranosyl-(1->4)]-be ta-L-galactopyranosiduronic acid

  • Molecular FormulaC54H88O23
  • Average mass1105.263 Da
  • Monoisotopic mass1104.571655 Da
  • ChemSpider ID82965876

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,14β,16β,17α,18α)-16,28-Dihydroxyolean-12-en-3-yl 6-deoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->6)-β-L-galactopyranosyl-(1->4)]-be ; ta-L-galactopyranosiduronic acid [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,14β,16β,17α,18α)-16,28-Dihydroxyolean-12-en-3-yl-6-desoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->6)-β-L-galactopyranosyl-(1->4)]-b ; η-L-galactopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 6-désoxy-α-D-mannopyranosyl-(1->2)-[β-L-glucopyranosyl-(1->6)-β-L-galactopyranosyl-(1->4)]-β-L-galactopyranosiduronique de (3α,5β,8α,9β,10α,14β,16β,17α,1
 8α)-16,28-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
β-L-Galactopyranosiduronic acid, (3α,5β,8α,9β,10α,14β,16β,17α,18α)-16,28-dihydroxyolean-12-en-3-yl O-6-deoxy-α-D-mannopyranosyl-(1->2)-O-[O-β-L-glucopyranosyl -(1->6)-β-L-galactopyranosyl-(1->;4)]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.636
Molar Refractivity: 268.4±0.4 cm3
#H bond acceptors: 23
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 5.96
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 374 Å2
Polarizability: 106.4±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 749.0±5.0 cm3

Click to predict properties on the Chemicalize site


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