ChemSpider 2D Image | 1-O-[3-(Hexopyranosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]hexopyranose | C42H66O16

1-O-[3-(Hexopyranosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]hexopyranose

  • Molecular FormulaC42H66O16
  • Average mass826.964 Da
  • Monoisotopic mass826.435059 Da
  • ChemSpider ID433461

More details:

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

1-O-[3-(Hexopyranosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]hexopyranose [ACD/IUPAC Name]
1-O-[3-(Hexopyranosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]hexopyranose [German] [ACD/IUPAC Name]
1-O-[3-(Hexopyranosyloxy)-2,23-dihydroxy-23,28-dioxooléan-12-én-28-yl]hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-O-[3-(hexopyranosyloxy)-2,23-dihydroxy-23,28-dioxoolean-12-en-28-yl]- [ACD/Index Name]
3-glc, 28-glc medicagenic acid

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

AIDS138551 [DBID]
AIDS-138551 [DBID]
NSC645591 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 933.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.0±6.0 kJ/mol
Flash Point: 274.1±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 204.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 5.89
ACD/KOC (pH 5.5): 51.14
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 273 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 76.7±5.0 dyne/cm
Molar Volume: 574.1±5.0 cm3

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