ChemSpider 2D Image | Methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside | C17H22O8

Methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-β-D-talopyranoside

  • Molecular FormulaC17H22O8
  • Average mass354.352 Da
  • Monoisotopic mass354.131470 Da
  • ChemSpider ID23329303

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-Acétyl-3-O-(4-méthylbenzoyl)-β-D-talopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-β-D-talopyranoside [ACD/IUPAC Name]
Methyl-2-O-acetyl-3-O-(4-methylbenzoyl)-β-D-talopyranosid [German] [ACD/IUPAC Name]
β-D-Talopyranoside, methyl, 2-acetate 3-(4-methylbenzoate) [ACD/Index Name]
(2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydro-2H-pyran-4-yl 4-methylbenzoate
CHEMBL471376
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL471376/
MQT

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 188.5±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.45
ACD/KOC (pH 5.5): 199.32
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.45
ACD/KOC (pH 7.4): 199.32
Polar Surface Area: 112 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 267.5±5.0 cm3

Click to predict properties on the Chemicalize site


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