ChemSpider 2D Image | malibatol B | C28H20O9

malibatol B

  • Molecular FormulaC28H20O9
  • Average mass500.453 Da
  • Monoisotopic mass500.110718 Da
  • ChemSpider ID419984

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,7S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-2-oxadibenzo[cd,h]azulen-4,6,8,10,11-pentol [German] [ACD/IUPAC Name]
(6S,7S)-1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-6,7-dihydro-2-oxadibenzo[cd,h]azulene-4,6,8,10,11-pentol [ACD/IUPAC Name]
(6S,7S)-1-(3,4-Dihydroxyphényl)-7-(4-hydroxyphényl)-6,7-dihydro-2-oxadibenzo[cd,h]azulène-4,6,8,10,11-pentol [French] [ACD/IUPAC Name]
Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,6,8,10,11-pentol, 1-(3,4-dihydroxyphenyl)-6,7-dihydro-7-(4-hydroxyphenyl)-, (6S,7S)- [ACD/Index Name]
malibatol B
204644-72-4 [RN]
Benzo(6,7)cycloheptal(1,2,3-cd)benzofuran-4,6,8-10,11-pentol, 1-(3,4-dihydroxyphenyl)-6,7-dihydro-7-(4-hydroxyphenyl)-, cis-(-)
Benzo[6,7]cycloheptal[1,2,3-cd]benzofuran-4,6,8-10,11-pentol, 1-(3,4-dihydroxyphenyl)-6,7-dihydro-7-(4-hydroxyphenyl)-, cis-(-)
Malibotal B

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

AIDS092960 [DBID]
AIDS-092960 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 776.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.841
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.56
ACD/KOC (pH 5.5): 353.93
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.37
ACD/KOC (pH 7.4): 309.77
Polar Surface Area: 175 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 99.7±3.0 dyne/cm
Molar Volume: 298.4±3.0 cm3

Click to predict properties on the Chemicalize site


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