ChemSpider 2D Image | 26-[(6-Deoxyhexopyranosyl)oxy]-6-oxo-22,26-epoxycholestan-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside | C45H74O17

26-[(6-Deoxyhexopyranosyl)oxy]-6-oxo-22,26-epoxycholestan-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC45H74O17
  • Average mass887.059 Da
  • Monoisotopic mass886.492615 Da
  • ChemSpider ID3680909

More details:

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

26-[(6-Deoxyhexopyranosyl)oxy]-6-oxo-22,26-epoxycholestan-3-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
26-[(6-Desoxyhexopyranosyl)oxy]-6-oxo-22,26-epoxycholestan-3-yl-2-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxyhexopyranosyl)hexopyranoside de 26-[(6-désoxyhexopyranosyl)oxy]-6-oxo-22,26-époxycholestan-3-yle [French] [ACD/IUPAC Name]
Cholestan-6-one, 3-[[2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-26-[(6-deoxyhexopyranosyl)oxy]-22,26-epoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 975.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.1±6.0 kJ/mol
Flash Point: 281.5±27.8 °C
Index of Refraction: 1.604
Molar Refractivity: 219.7±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.11
ACD/KOC (pH 5.5): 1140.59
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.11
ACD/KOC (pH 7.4): 1140.58
Polar Surface Area: 264 Å2
Polarizability: 87.1±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 638.3±5.0 cm3

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