ChemSpider 2D Image | 1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)hexitol | C42H34O25

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)hexitol

  • Molecular FormulaC42H34O25
  • Average mass938.704 Da
  • Monoisotopic mass938.138916 Da
  • ChemSpider ID35014981

More details:

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

1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)hexitol [German] [ACD/IUPAC Name]
1-(3-Acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-2,3,4,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)hexitol [ACD/IUPAC Name]
1-(3-Acétyl-2,4,6-trihydroxyphényl)-1,5-anhydro-2,3,4,6-tétrakis-O-(3,4,5-trihydroxybenzoyl)hexitol [French] [ACD/IUPAC Name]
Hexitol, 1-C-(3-acetyl-2,4,6-trihydroxyphenyl)-1,5-anhydro-, tetrakis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
[6-(3-acetyl-2,4,6-trihydroxyphenyl)-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
3'-(2'',3'',4'',6''-Tetrakisgalloylglucosyl)-phloroacetophenone

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1322.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 206.1±3.0 kJ/mol
Flash Point: 396.8±27.8 °C
Index of Refraction: 1.861
Molar Refractivity: 211.2±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 4
ACD/LogP: 8.45
ACD/LogD (pH 5.5): 5.84
ACD/BCF (pH 5.5): 16227.47
ACD/KOC (pH 5.5): 35790.96
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 8914.22
ACD/KOC (pH 7.4): 19660.99
Polar Surface Area: 435 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 171.3±5.0 dyne/cm
Molar Volume: 468.3±5.0 cm3

Click to predict properties on the Chemicalize site


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