ChemSpider 2D Image | (1S,1'R)-4,4'-Dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-3,5,5',6,6',7,7'-heptol | C18H18O9

(1S,1'R)-4,4'-Dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-3,5,5',6,6',7,7'-heptol

  • Molecular FormulaC18H18O9
  • Average mass378.330 Da
  • Monoisotopic mass378.095093 Da
  • ChemSpider ID28289686
  • defined stereocentres - 2 of 3 defined stereocentres


More details:



Featured data source



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

(1S,1'R)-4,4'-Dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-3,5,5',6,6',7,7'-heptol [German] [ACD/IUPAC Name]
(1S,1'R)-4,4'-Dimethyl-1,1',3,3'-tetrahydro-1,1'-bi-2-benzofuran-3,5,5',6,6',7,7'-heptol [ACD/IUPAC Name]
(1S,1'R)-4,4'-Diméthyl-1,1',3,3'-tétrahydro-1,1'-bi-2-benzofurane-3,5,5',6,6',7,7'-heptol [French] [ACD/IUPAC Name]
[1,1'-Biisobenzofuran]-3,5,5',6,6',7,7'-heptol, 1,1',3,3'-tetrahydro-4,4'-dimethyl-, (1S,1'R)- [ACD/Index Name]
flavimycin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 605.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 320.1±31.5 °C
Index of Refraction: 1.805
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.04
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.83
Polar Surface Area: 160 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 113.1±3.0 dyne/cm
Molar Volume: 212.9±3.0 cm3

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