ChemSpider 2D Image | ES-242-1 | C34H36O10

ES-242-1

  • Molecular FormulaC34H36O10
  • Average mass604.644 Da
  • Monoisotopic mass604.230835 Da
  • ChemSpider ID35518136
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,3'S,4S)-10,10'-Dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromen-4-yl acetate [ACD/IUPAC Name]
(3S,3'S,4S)-10,10'-Dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-5,5'-bibenzo[g]isochromen-4-yl-acetat [German] [ACD/IUPAC Name]
[5,5'-Bi-1H-naphtho[2,3-c]pyran]-4,10,10'-triol, 3,3',4,4'-tetrahydro-7,7',9,9'-tetramethoxy-3,3'-dimethyl-, 4-acetate, (3S,3'S,4S)- [ACD/Index Name]
Acétate de (3S,3'S,4S)-10,10'-dihydroxy-7,7',9,9'-tétraméthoxy-3,3'-diméthyl-3,3',4,4'-tétrahydro-1H,1'H-5,5'-bibenzo[g]isochromén-4-yle [French] [ACD/IUPAC Name]
ES-242-1

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 241.3±26.4 °C
Index of Refraction: 1.667
Molar Refractivity: 162.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3680.88
ACD/KOC (pH 5.5): 12368.49
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 1652.78
ACD/KOC (pH 7.4): 5553.68
Polar Surface Area: 122 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 436.5±5.0 cm3

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