ChemSpider 2D Image | (1S,1'R,3R)-3-Methoxy-4,4'-dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-5,5',6,6',7,7'-hexayl hexaacetate | C31H32O15

(1S,1'R,3R)-3-Methoxy-4,4'-dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-5,5',6,6',7,7'-hexayl hexaacetate

  • Molecular FormulaC31H32O15
  • Average mass644.577 Da
  • Monoisotopic mass644.174133 Da
  • ChemSpider ID40256738

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,1'R,3R)-3-Methoxy-4,4'-dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-5,5',6,6',7,7'-hexayl hexaacetate [ACD/IUPAC Name]
(1S,1'R,3R)-3-Methoxy-4,4'-dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-5,5',6,6',7,7'-hexayl-hexaacetat [German] [ACD/IUPAC Name]
[1,1'-Biisobenzofuran]-5,5',6,6',7,7'-hexol, 1,1',3,3'-tetrahydro-3-methoxy-4,4'-dimethyl-, hexaacetate, (1S,1'R,3R)- [ACD/Index Name]
Hexaacétate de (1S,1'R,3R)-3-méthoxy-4,4'-diméthyl-1,1',3,3'-tétrahydro-1,1'-bi-2-benzofurane-5,5',6,6',7,7'-hexayle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 284.7±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -0.75
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.14
ACD/KOC (pH 5.5): 156.09
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.14
ACD/KOC (pH 7.4): 156.09
Polar Surface Area: 185 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 452.9±5.0 cm3

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