ChemSpider 2D Image | 2,4-Bis{2,6-dihydroxy-3-[(1Z)-1-hydroxy-1-buten-1-yl]-4-methoxy-5-methylbenzyl}-6-[(1Z)-1-hydroxy-1-buten-1-yl]-1,3,5-benzenetriol | C36H44O12

2,4-Bis{2,6-dihydroxy-3-[(1Z)-1-hydroxy-1-buten-1-yl]-4-methoxy-5-methylbenzyl}-6-[(1Z)-1-hydroxy-1-buten-1-yl]-1,3,5-benzenetriol

  • Molecular FormulaC36H44O12
  • Average mass668.727 Da
  • Monoisotopic mass668.283264 Da
  • ChemSpider ID95555481

More details:

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

1,3,5-Benzenetriol, 2,4-bis[[2,6-dihydroxy-3-[(1Z)-1-hydroxy-1-buten-1-yl]-4-methoxy-5-methylphenyl]methyl]-6-[(1Z)-1-hydroxy-1-buten-1-yl]- [ACD/Index Name]
2,4-Bis{2,6-dihydroxy-3-[(1Z)-1-hydroxy-1-buten-1-yl]-4-methoxy-5-methylbenzyl}-6-[(1Z)-1-hydroxy-1-buten-1-yl]-1,3,5-benzenetriol [ACD/IUPAC Name]
2,4-Bis{2,6-dihydroxy-3-[(1Z)-1-hydroxy-1-butén-1-yl]-4-méthoxy-5-méthylbenzyl}-6-[(1Z)-1-hydroxy-1-butén-1-yl]-1,3,5-benzènetriol [French] [ACD/IUPAC Name]
2,4-Bis{2,6-dihydroxy-3-[(1Z)-1-hydroxy-1-buten-1-yl]-4-methoxy-5-methylbenzyl}-6-[(1Z)-1-hydroxy-1-buten-1-yl]-1,3,5-benzoltriol [German] [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: 963.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.2±3.0 kJ/mol
Flash Point: 536.7±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 183.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 9.92
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45561.79
ACD/KOC (pH 5.5): 75149.24
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45373.04
ACD/KOC (pH 7.4): 74837.91
Polar Surface Area: 221 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 492.8±3.0 cm3

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