ChemSpider 2D Image | 2,2',2''-Tris(4-hydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',4'',5,5',5'',7,7',7''-decol | C45H38O16

2,2',2''-Tris(4-hydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',4'',5,5',5'',7,7',7''-decol

  • Molecular FormulaC45H38O16
  • Average mass834.774 Da
  • Monoisotopic mass834.216003 Da
  • ChemSpider ID35014751

More details:

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

[4,8':4',8''-Ter-2H-1-benzopyran]-3,3',3'',4'',5,5',5'',7,7',7''-decol, 3,3',3'',4,4',4''-hexahydro-2,2',2''-tris(4-hydroxyphenyl)- [ACD/Index Name]
2,2',2''-Tris(4-hydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromen-3,3',3'',4'',5,5',5'',7,7',7''-decol [German] [ACD/IUPAC Name]
2,2',2''-Tris(4-hydroxyphenyl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromene-3,3',3'',4'',5,5',5'',7,7',7''-decol [ACD/IUPAC Name]
2,2',2''-Tris(4-hydroxyphényl)-3,3',3'',4,4',4''-hexahydro-2H,2'H,2''H-4,8':4',8''-terchromène-3,3',3'',4'',5,5',5'',7,7',7''-décol [French] [ACD/IUPAC Name]
[3,5,7,4'-Tetrahydroxyflavan-(4->8)]2-3,4,5,7,4'-pentahydroxyflavan
[4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol
[4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol, 8CI
2-(4-hydroxyphenyl)-8-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.802
Molar Refractivity: 213.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 13
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.98
ACD/KOC (pH 5.5): 264.06
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.69
ACD/KOC (pH 7.4): 259.56
Polar Surface Area: 291 Å2
Polarizability: 84.5±0.5 10-24cm3
Surface Tension: 98.6±3.0 dyne/cm
Molar Volume: 497.8±3.0 cm3

Click to predict properties on the Chemicalize site


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