ChemSpider 2D Image | (1R,4R,5R,11S,12S,15S,16S,22S)-4,15-Bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.9.1.0~2,10~.0~3,7~.0~13,21~.0~14,18~]docosa-2,7,9,13,18,20-hexaene-9,20-diol | C56H42O12

(1R,4R,5R,11S,12S,15S,16S,22S)-4,15-Bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.9.1.02,10.03,7.013,21.014,18]docosa-2,7,9,13,18,20-hexaene-9,20-diol

  • Molecular FormulaC56H42O12
  • Average mass906.925 Da
  • Monoisotopic mass906.267639 Da
  • ChemSpider ID8163904

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,4R,5R,11S,12S,15S,16S,22S)-4,15-Bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.9.1.02,10.03,7.013,21.014,18]docosa-2,7,9,13,18,20-hexaen-9,20-diol [German] [ACD/IUPAC Name]
(1R,4R,5R,11S,12S,15S,16S,22S)-4,15-Bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.9.1.02,10.03,7.013,21.014,18]docosa-2,7,9,13,18,20-hexaene-9,20-diol [ACD/IUPAC Name]
(1R,4R,5R,11S,12S,15S,16S,22S)-4,15-Bis(3,5-dihydroxyphényl)-5,11,16,22-tétrakis(4-hydroxyphényl)-6,17-dioxahexacyclo[10.9.1.02,10.03,7.013,21.014,18]docosa-2,7,9,13,18,20-hexaène-9,20-diol [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.784
Molar Refractivity: 249.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 6.95
ACD/BCF (pH 5.5): 113215.02
ACD/KOC (pH 5.5): 144170.03
ACD/LogD (pH 7.4): 6.95
ACD/BCF (pH 7.4): 112446.82
ACD/KOC (pH 7.4): 143191.80
Polar Surface Area: 221 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 592.2±3.0 cm3

Click to predict properties on the Chemicalize site


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