ChemSpider 2D Image | (3S,3'S,4S,4'S)-7,7',9,9'-Tetramethoxy-4,4'-bis(methoxymethoxy)-3,3'-dimethyl-1,1',3,3',4,4',5,5'-octahydro-10H,10'H-5,5'-bibenzo[g]isochromene-10,10'-dione | C36H42O12

(3S,3'S,4S,4'S)-7,7',9,9'-Tetramethoxy-4,4'-bis(methoxymethoxy)-3,3'-dimethyl-1,1',3,3',4,4',5,5'-octahydro-10H,10'H-5,5'-bibenzo[g]isochromene-10,10'-dione

  • Molecular FormulaC36H42O12
  • Average mass666.711 Da
  • Monoisotopic mass666.267639 Da
  • ChemSpider ID9127694

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3S,3'S,4S,4'S)-7,7',9,9'-Tetramethoxy-4,4'-bis(methoxymethoxy)-3,3'-dimethyl-1,1',3,3',4,4',5,5'-octahydro-10H,10'H-5,5'-bibenzo[g]isochromen-10,10'-dion [German] [ACD/IUPAC Name]
(3S,3'S,4S,4'S)-7,7',9,9'-Tetramethoxy-4,4'-bis(methoxymethoxy)-3,3'-dimethyl-1,1',3,3',4,4',5,5'-octahydro-10H,10'H-5,5'-bibenzo[g]isochromene-10,10'-dione [ACD/IUPAC Name]
(3S,3'S,4S,4'S)-7,7',9,9'-Tétraméthoxy-4,4'-bis(méthoxyméthoxy)-3,3'-diméthyl-1,1',3,3',4,4',5,5'-octahydro-10H,10'H-5,5'-bibenzo[g]isochromène-10,10'-dione [French] [ACD/IUPAC Name]
[5,5'-Bi-1H-naphtho[2,3-c]pyran]-10,10'(5H,5'H)-dione, 3,3',4,4'-tetrahydro-7,7',9,9'-tetramethoxy-4,4'-bis(methoxymethoxy)-3,3'-dimethyl-, (3S,3'S,4S,4'S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 787.4±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: 321.5±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 170.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1550.23
ACD/KOC (pH 5.5): 6687.81
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1550.23
ACD/KOC (pH 7.4): 6687.81
Polar Surface Area: 126 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 504.2±5.0 cm3

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