ChemSpider 2D Image | 3-[(2-O-Hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate | C42H59O16

3-[(2-O-Hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate

  • Molecular FormulaC42H59O16
  • Average mass819.910 Da
  • Monoisotopic mass819.381958 Da
  • ChemSpider ID3515288

  • Charge - Charge

More details:

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

3-[(2-O-Hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oat [German] [ACD/IUPAC Name]
3-[(2-O-Hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate [ACD/IUPAC Name]
3-[(2-O-Hexopyranuronosylhexopyranuronosyl)oxy]-11-oxooléan-12-én-29-oate [French] [ACD/IUPAC Name]
Olean-12-en-29-oic acid, 3-[(2-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxo-, ion(3-) [ACD/Index Name]

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

Density:
Boiling Point: 971.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.4±6.0 kJ/mol
Flash Point: 288.1±27.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.64
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 276 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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