ChemSpider 2D Image | (8S,16E)-4-(2,4-Dimethoxyphenyl)-5-methoxy-8-methyl-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione | C30H34O8

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

  • Molecular FormulaC30H34O8
  • Average mass522.586 Da
  • Monoisotopic mass522.225342 Da
  • ChemSpider ID29769876

  • 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-(2,4-Dimethoxyphenyl)-5-methoxy-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-(2,4-Dimethoxyphenyl)-5-methoxy-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-(2,4-Diméthoxyphényl)-5-méthoxy-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-(2,4-dimethoxyphenyl)-4,8,9,10,11,13,14,15-octahydro-5-methoxy-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: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 296.1±32.9 °C
Index of Refraction: 1.540
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1446.45
ACD/KOC (pH 5.5): 6364.18
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1446.45
ACD/KOC (pH 7.4): 6364.18
Polar Surface Area: 97 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 446.1±3.0 cm3

Click to predict properties on the Chemicalize site


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