ChemSpider 2D Image | 7-(Acetoxymethyl)-6,7-dihydroxy-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-acetoxybenzoate | C34H40O19

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

  • Molecular FormulaC34H40O19
  • Average mass752.670 Da
  • Monoisotopic mass752.216370 Da
  • ChemSpider ID3210979

More details:

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

4-Acétoxybenzoate de 7-(acétoxyméthyl)-6,7-dihydroxy-1-[(2,3,4,6-tétra-O-acétylhexopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yle [French] [ACD/IUPAC Name]
7-(Acetoxymethyl)-6,7-dihydroxy-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-acetoxybenzoate [ACD/IUPAC Name]
7-(Acetoxymethyl)-6,7-dihydroxy-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl-4-acetoxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 4-(acetyloxy)-, 7-[(acetyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]cyclopenta[c]pyran-5-yl ester [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: 781.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 236.9±26.4 °C
Index of Refraction: 1.574
Molar Refractivity: 171.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.49
ACD/KOC (pH 5.5): 280.82
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.49
ACD/KOC (pH 7.4): 280.82
Polar Surface Area: 252 Å2
Polarizability: 67.9±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 519.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement