ChemSpider 2D Image | (8S,16E)-5-Hydroxy-8-methyl-4-(2,3,4-trimethoxyphenyl)-4,8,9,10,11,13,14,15-octahydro-2H,6H-oxacyclotetradecino[3,4-g]chromene-2,6,12(3H)-trione | C30H34O9

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

  • Molecular FormulaC30H34O9
  • Average mass538.586 Da
  • Monoisotopic mass538.220276 Da
  • ChemSpider ID29769575

  • 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)-5-Hydroxy-8-methyl-4-(2,3,4-trimethoxyphenyl)-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)-5-Hydroxy-8-methyl-4-(2,3,4-trimethoxyphenyl)-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)-5-Hydroxy-8-méthyl-4-(2,3,4-triméthoxyphényl)-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, 4,8,9,10,11,13,14,15-octahydro-5-hydroxy-8-methyl-4-(2,3,4-trimethoxyphenyl)-, (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: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 215.9±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 705.86
ACD/KOC (pH 5.5): 3740.13
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 121.68
ACD/KOC (pH 7.4): 644.73
Polar Surface Area: 118 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 444.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement