Found 29 results

Search term: MF = 'C_{34}H_{48}O_{12}'
ChemSpider 2D Image | 4-{[2-(beta-D-Galactopyranosyloxy)-6-heptyl-4-hydroxybenzoyl]oxy}-2-heptyl-6-hydroxybenzoic acid | C34H48O12

4-{[2-(β-D-Galactopyranosyloxy)-6-heptyl-4-hydroxybenzoyl]oxy}-2-heptyl-6-hydroxybenzoic acid

  • Molecular FormulaC34H48O12
  • Average mass648.738 Da
  • Monoisotopic mass648.314575 Da
  • ChemSpider ID8136707

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-{[2-(β-D-Galactopyranosyloxy)-6-heptyl-4-hydroxybenzoyl]oxy}-2-heptyl-6-hydroxybenzoesäure [German] [ACD/IUPAC Name]
4-{[2-(β-D-Galactopyranosyloxy)-6-heptyl-4-hydroxybenzoyl]oxy}-2-heptyl-6-hydroxybenzoic acid [ACD/IUPAC Name]
Acide 4-{[2-(β-D-galactopyranosyloxy)-6-heptyl-4-hydroxybenzoyl]oxy}-2-heptyl-6-hydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(β-D-galactopyranosyloxy)-6-heptyl-4-hydroxy-, 4-carboxy-3-heptyl-5-hydroxyphenyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 870.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 270.6±27.8 °C
Index of Refraction: 1.594
Molar Refractivity: 169.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 199.91
ACD/KOC (pH 5.5): 212.83
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 101.03
ACD/KOC (pH 7.4): 107.56
Polar Surface Area: 203 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 500.0±3.0 cm3

Click to predict properties on the Chemicalize site


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