ChemSpider 2D Image | (1R,6S,7R,11bR)-6-[(1S,2R,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-3-[(R)-hydroxy(4-hydroxyphenyl)methyl]-1-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-4-yl]-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro- 2-oxadibenzo[cd,h]azulene-4,8,10-triol | C56H44O13

(1R,6S,7R,11bR)-6-[(1S,2R,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-3-[(R)-hydroxy(4-hydroxyphenyl)methyl]-1-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-4-yl]-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro- 2-oxadibenzo[cd,h]azulene-4,8,10-triol

  • Molecular FormulaC56H44O13
  • Average mass924.941 Da
  • Monoisotopic mass924.278198 Da
  • ChemSpider ID9609399

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,6S,7R,11bR)-6-[(1S,2R,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-3-[(R)-hydroxy(4-hydroxyphenyl)methyl]-1-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-4-yl]-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro- 2-oxadibenzo[cd,h]azulen-4,8,10-triol [German] [ACD/IUPAC Name]
(1R,6S,7R,11bR)-6-[(1S,2R,3S)-2-(3,5-Dihydroxyphenyl)-5,7-dihydroxy-3-[(R)-hydroxy(4-hydroxyphenyl)methyl]-1-(4-hydroxyphenyl)-2,3-dihydro-1H-inden-4-yl]-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydro- 2-oxadibenzo[cd,h]azulene-4,8,10-triol [ACD/IUPAC Name]
(1R,6S,7R,11bR)-6-[(1S,2R,3S)-2-(3,5-Dihydroxyphényl)-5,7-dihydroxy-3-[(R)-hydroxy(4-hydroxyphényl)méthyl]-1-(4-hydroxyphényl)-2,3-dihydro-1H-indén-4-yl]-1,7-bis(4-hydroxyphényl)-1,6,7,11b-tétrahydro- 2-oxadibenzo[cd,h]azulène-4,8,10-triol [French] [ACD/IUPAC Name]
Benzo[6,7]cyclohepta[1,2,3-cd]benzofuran-4,8,10-triol, 6-[(1S,2R,3S)-2-(3,5-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-3-[(R)-hydroxy(4-hydroxyphenyl)methyl]-1-(4-hydroxyphenyl)-1H-inden-4-yl]-1,6,7,1 1b-tetrahydro-1,7-bis(4-hydroxyphenyl)-, (1R,6S,7R,11bR)- [ACD/Index 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: 1.790
Molar Refractivity: 253.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 12
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 6.17
ACD/BCF (pH 5.5): 28659.29
ACD/KOC (pH 5.5): 53927.00
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28462.14
ACD/KOC (pH 7.4): 53556.04
Polar Surface Area: 252 Å2
Polarizability: 100.4±0.5 10-24cm3
Surface Tension: 90.3±3.0 dyne/cm
Molar Volume: 598.1±3.0 cm3

Click to predict properties on the Chemicalize site


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