ChemSpider 2D Image | 22-[(3-O-Hexopyranosylpentopyranosyl)oxy]-21,23-dihydroxyolean-12-en-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronic acid | C59H96O29

22-[(3-O-Hexopyranosylpentopyranosyl)oxy]-21,23-dihydroxyolean-12-en-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronic acid

  • Molecular FormulaC59H96O29
  • Average mass1269.376 Da
  • Monoisotopic mass1268.603760 Da
  • ChemSpider ID138390

More details:

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

22-[(3-O-Hexopyranosylpentopyranosyl)oxy]-21,23-dihydroxyolean-12-en-3-yl hexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronic acid [ACD/IUPAC Name]
22-[(3-O-Hexopyranosylpentopyranosyl)oxy]-21,23-dihydroxyolean-12-en-3-ylhexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosyl-(1->2)hexopyranosyl-(1->2)hexopyranosiduronique de 22-[(3-O-hexopyranosylpentopyranosyl)oxy]-21,23-dihydroxyoléan-12-én-3-yle [French] [ACD/IUPAC Name]
Hexopyranosiduronic acid, 22-[(3-O-hexopyranosylpentopyranosyl)oxy]-21,23-dihydroxyolean-12-en-3-yl O-hexopyranosyl-(1->2)-O-hexopyranosyl-(1->2)- [ACD/Index Name]
78693-94-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 299.1±0.4 cm3
#H bond acceptors: 29
#H bond donors: 18
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 474 Å2
Polarizability: 118.6±0.5 10-24cm3
Surface Tension: 91.7±5.0 dyne/cm
Molar Volume: 812.6±5.0 cm3

Click to predict properties on the Chemicalize site


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