ChemSpider 2D Image | 22-Acetoxy-16,23,28-trihydroxy-21-[(2-methyl-2-butenoyl)oxy]olean-12-en-3-yl hexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosiduronic acid | C55H86O24

22-Acetoxy-16,23,28-trihydroxy-21-[(2-methyl-2-butenoyl)oxy]olean-12-en-3-yl hexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosiduronic acid

  • Molecular FormulaC55H86O24
  • Average mass1131.257 Da
  • Monoisotopic mass1130.550903 Da
  • ChemSpider ID3748910

More details:

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

22-Acetoxy-16,23,28-trihydroxy-21-[(2-methyl-2-butenoyl)oxy]olean-12-en-3-yl hexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosiduronic acid [ACD/IUPAC Name]
22-Acetoxy-16,23,28-trihydroxy-21-[(2-methyl-2-butenoyl)oxy]olean-12-en-3-ylhexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosiduronsäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 22-(acetyloxy)-3-[[O-hexopyranosyl-(1->2)-O-[hexopyranosyl-(1->4)]hexopyranuronosyl]oxy]-16,23,28-trihydroxyolean-12-en-21-yl ester [ACD/Index Name]
Acide hexopyranosyl-(1->2)-[hexopyranosyl-(1->4)]hexopyranosiduronique de 22-acétoxy-16,23,28-trihydroxy-21-[(2-méthyl-2-butenoyl)oxy]oléan-12-én-3-yle [French] [ACD/IUPAC Name]
11072-93-8 [RN]
6805-41-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1140.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.0±6.0 kJ/mol
Flash Point: 311.8±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 273.6±0.4 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 388 Å2
Polarizability: 108.4±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 771.2±5.0 cm3

Click to predict properties on the Chemicalize site


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