ChemSpider 2D Image | 7-(Acetoxymethyl)-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl benzoate | C32H36O15

7-(Acetoxymethyl)-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl benzoate

  • Molecular FormulaC32H36O15
  • Average mass660.619 Da
  • Monoisotopic mass660.205444 Da
  • ChemSpider ID520090

More details:

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

7-(Acetoxymethyl)-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl benzoate [ACD/IUPAC Name]
7-(Acetoxymethyl)-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 7-(acétoxyméthyl)-1-[(2,3,4,6-tétra-O-acétylhexopyranosyl)oxy]-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-5-yle [French] [ACD/IUPAC Name]
Hexopyranoside, 7-[(acetyloxy)methyl]-5-(benzoyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl, tetraacetate [ACD/Index Name]
Benzoic acid, 7-acetoxymethyl-1-(3,4,5-triacetoxy-6-acetoxymethyltetrahydropyran-2-yloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl ester

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 288.8±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 493.39
ACD/KOC (pH 5.5): 2947.06
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 493.39
ACD/KOC (pH 7.4): 2947.06
Polar Surface Area: 185 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 483.1±5.0 cm3

Click to predict properties on the Chemicalize site


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