ChemSpider 2D Image | (8S,16E)-4-(2,5-Dimethoxyphenyl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione | C29H32O8

(8S,16E)-4-(2,5-Dimethoxyphenyl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID29769151
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

(8S,16E)-4-(2,5-Dimethoxyphenyl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromen-2,6,12(3H)-trion [German] [ACD/IUPAC Name]
(8S,16E)-4-(2,5-Dimethoxyphenyl)-5-hydroxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione [ACD/IUPAC Name]
(8S,16E)-4-(2,5-Diméthoxyphényl)-5-hydroxy-8-méthyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotétradécino[3,4-g]chromène-2,6,12(3H)-trione [French] [ACD/IUPAC Name]
2H,6H-Pyrano[2,3-o][2]benzoxacyclotetradecin-2,6,12(3H)-trione, 4-(2,5-dimethoxyphenyl)-4,8,9,10,11,13,14,15-octahydro-5-hydroxy-8-methyl-, (8S,16E)- [ACD/Index 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: 668.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 217.9±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1987.51
ACD/KOC (pH 5.5): 7857.80
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 365.07
ACD/KOC (pH 7.4): 1443.34
Polar Surface Area: 108 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 420.5±3.0 cm3

Click to predict properties on the Chemicalize site






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