ChemSpider 2D Image | 1-O-(3-{[6-O-(Carboxyacetyl)hexopyranosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl)hexopyranose | C45H68O19

1-O-(3-{[6-O-(Carboxyacetyl)hexopyranosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl)hexopyranose

  • Molecular FormulaC45H68O19
  • Average mass913.010 Da
  • Monoisotopic mass912.435486 Da
  • ChemSpider ID24785186

More details:






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

1-O-(3-{[6-O-(2-Carboxyacétyl)hexopyranosyl]oxy}-2,23-dihydroxy-23,28-dioxooléan-12-én-28-yl)hexopyranose [French] [ACD/IUPAC Name]
1-O-(3-{[6-O-(Carboxyacetyl)hexopyranosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl)hexopyranose [ACD/IUPAC Name]
1-O-(3-{[6-O-(Carboxyacetyl)hexopyranosyl]oxy}-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl)hexopyranose [German] [ACD/IUPAC Name]
Hexopyranose, 1-O-[3-[[6-O-(2-carboxyacetyl)hexopyranosyl]oxy]-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
3-glc, 28-glc-malonyl medicagenic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1005.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.2±6.0 kJ/mol
Flash Point: 290.5±27.8 °C
Index of Refraction: 1.627
Molar Refractivity: 220.1±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 621.2±5.0 cm3

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