ChemSpider 2D Image | 2-O-{(3alpha)-3-[(3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-21-oxolanosta-8,24-dien-21-yl}-beta-D-xylopyranose | C42H66O11

2-O-{(3α)-3-[(3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-21-oxolanosta-8,24-dien-21-yl}-β-D-xylopyranose

  • Molecular FormulaC42H66O11
  • Average mass746.967 Da
  • Monoisotopic mass746.460510 Da
  • ChemSpider ID78437714

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

2-O-{(3α)-3-[(3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-21-oxolanosta-8,24-dien-21-yl}-β-D-xylopyranose [German] [ACD/IUPAC Name]
2-O-{(3α)-3-[(3-Hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxy]-21-oxolanosta-8,24-dien-21-yl}-β-D-xylopyranose [ACD/IUPAC Name]
2-O-{(3α)-3-[(3-Hydroxy-5-méthoxy-3-méthyl-5-oxopentanoyl)oxy]-21-oxolanosta-8,24-dién-21-yl}-β-D-xylopyranose [French] [ACD/IUPAC Name]
β-D-Xylopyranose, 2-O-[(3α)-3-[(3-hydroxy-5-methoxy-3-methyl-1,5-dioxopentyl)oxy]-21-oxolanosta-8,24-dien-21-yl]- [ACD/Index Name]
Fomitoside H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 797.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.1±6.0 kJ/mol
Flash Point: 229.9±26.4 °C
Index of Refraction: 1.561
Molar Refractivity: 198.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.51
ACD/LogD (pH 5.5): 7.41
ACD/BCF (pH 5.5): 251415.23
ACD/KOC (pH 5.5): 255373.05
ACD/LogD (pH 7.4): 7.41
ACD/BCF (pH 7.4): 251401.70
ACD/KOC (pH 7.4): 255359.31
Polar Surface Area: 169 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 614.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement