ChemSpider 2D Image | Methyl 4-[(16E)-5-hydroxy-8-methyl-2,6,12-trioxo-3,4,8,9,10,11,12,13,14,15-decahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-4-yl]benzoate | C29H30O8

Methyl 4-[(16E)-5-hydroxy-8-methyl-2,6,12-trioxo-3,4,8,9,10,11,12,13,14,15-decahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-4-yl]benzoate

  • Molecular FormulaC29H30O8
  • Average mass506.544 Da
  • Monoisotopic mass506.194061 Da
  • ChemSpider ID32042751

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(16E)-5-Hydroxy-8-méthyl-2,6,12-trioxo-3,4,8,9,10,11,12,13,14,15-décahydro-2H,6H-oxacyclotétradécino[3,4-g]chromén-4-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(16E)-3,4,8,9,10,11,12,13,14,15-decahydro-5-hydroxy-8-methyl-2,6,12-trioxo-2H,6H-pyrano[2,3-o][2]benzoxacyclotetradecin-4-yl]-, methyl ester [ACD/Index Name]
Methyl 4-[(16E)-5-hydroxy-8-methyl-2,6,12-trioxo-3,4,8,9,10,11,12,13,14,15-decahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-4-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[(16E)-5-hydroxy-8-methyl-2,6,12-trioxo-3,4,8,9,10,11,12,13,14,15-decahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-4-yl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 673.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 220.8±25.0 °C
Index of Refraction: 1.564
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2485.72
ACD/KOC (pH 5.5): 9213.21
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 436.33
ACD/KOC (pH 7.4): 1617.25
Polar Surface Area: 116 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 410.4±3.0 cm3

Click to predict properties on the Chemicalize site


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