ChemSpider 2D Image | (2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5'' ',7,7',7'',7'''-dodecol | C60H50O24

(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5'' ',7,7',7'',7'''-dodecol

  • Molecular FormulaC60H50O24
  • Average mass1155.025 Da
  • Monoisotopic mass1154.269165 Da
  • ChemSpider ID17297900

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

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

(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromen-3,3',3'',3''',5,5',5'',5''' ,7,7',7'',7'''-dodecol [German] [ACD/IUPAC Name]
(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5'' ',7,7',7'',7'''-dodecol [ACD/IUPAC Name]
(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''S)-2,2',2'',2'''-Tétrakis(3,4-dihydroxyphényl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromène-3,3',3'',3''',5,5',5'',5'' ',7,7',7'',7'''-dodécol [French] [ACD/IUPAC Name]
[4,8':4',8'':4'',8'''-Quater-2H-1-benzopyran]-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol, 2,2',2'',2'''-tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-, (2R,2'R,2''R,2'''R, 3R,3'R,3''R,3'''S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.839
Molar Refractivity: 288.9±0.3 cm3
#H bond acceptors: 24
#H bond donors: 20
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 6.46
ACD/KOC (pH 5.5): 132.24
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 6.36
ACD/KOC (pH 7.4): 130.13
Polar Surface Area: 442 Å2
Polarizability: 114.5±0.5 10-24cm3
Surface Tension: 113.5±3.0 dyne/cm
Molar Volume: 653.0±3.0 cm3

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