ChemSpider 2D Image | (−)-Blepharocalyxin D | C38H40O6

(−)-Blepharocalyxin D

  • Molecular FormulaC38H40O6
  • Average mass592.721 Da
  • Monoisotopic mass592.282471 Da
  • ChemSpider ID8161486

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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(−)-Blepharocalyxin D
4,4'-({(2S,4S,4aS,5S,7S,8aR)-5-(4-Hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]hexahydro-2H,5H-pyrano[4,3-b]pyran-2,7-diyl}di-2,1-ethandiyl)diphenol [German] [ACD/IUPAC Name]
4,4'-({(2S,4S,4aS,5S,7S,8aR)-5-(4-Hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)vinyl]hexahydro-2H,5H-pyrano[4,3-b]pyran-2,7-diyl}di-2,1-ethanediyl)diphenol [ACD/IUPAC Name]
4,4'-({(2S,4S,4aS,5S,7S,8aR)-5-(4-Hydroxyphényl)-4-[(E)-2-(4-hydroxyphényl)vinyl]hexahydro-2H,5H-pyrano[4,3-b]pyrane-2,7-diyl}di-2,1-éthanediyl)diphénol [French] [ACD/IUPAC Name]
blepharocalyxin D
Phenol, 4,4'-[[(2S,4S,4aS,5S,7S,8aR)-hexahydro-5-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H,5H-pyrano[4,3-b]pyran-2,7-diyl]di-2,1-ethanediyl]bis- [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: 824.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 452.6±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 175.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 78958.86
ACD/KOC (pH 5.5): 111461.25
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 78170.70
ACD/KOC (pH 7.4): 110348.66
Polar Surface Area: 99 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 473.1±3.0 cm3

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