ChemSpider 2D Image | 1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose | C42H68O13

1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID383917

More details:

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

1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose [ACD/IUPAC Name]
1-O-[3-(Hexopyranosyloxy)-28-oxoolean-12-en-28-yl]hexopyranose [German] [ACD/IUPAC Name]
1-O-[3-(Hexopyranosyloxy)-28-oxooléan-12-én-28-yl]hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 1-O-[3-(hexopyranosyloxy)-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
72786-33-5 [RN]
ANCHUSOSIDE-1

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

NSC342981 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.1±6.0 kJ/mol
Flash Point: 247.0±27.8 °C
Index of Refraction: 1.606
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6540.12
ACD/KOC (pH 5.5): 18740.78
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6539.99
ACD/KOC (pH 7.4): 18740.43
Polar Surface Area: 216 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 582.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement