ChemSpider 2D Image | 3,4,5,19,20,21-Hexahydroxy-8,17-dioxo-9,16,23-trioxatetracyclo[16.3.1.1~11,15~.0~2,7~]tricosa-1(22),2,4,6,18,20-hexaene-12,13,14-triyl tris(3,4,5-trihydroxybenzoate) | C41H30O26

3,4,5,19,20,21-Hexahydroxy-8,17-dioxo-9,16,23-trioxatetracyclo[16.3.1.111,15.02,7]tricosa-1(22),2,4,6,18,20-hexaene-12,13,14-triyl tris(3,4,5-trihydroxybenzoate)

  • Molecular FormulaC41H30O26
  • Average mass938.661 Da
  • Monoisotopic mass938.102539 Da
  • ChemSpider ID74180888

More details:

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

3,4,5,19,20,21-Hexahydroxy-8,17-dioxo-9,16,23-trioxatetracyclo[16.3.1.111,15.02,7]tricosa-1(22),2,4,6,18,20-hexaen-12,13,14-triyl-tris(3,4,5-trihydroxybenzoat) [German] [ACD/IUPAC Name]
3,4,5,19,20,21-Hexahydroxy-8,17-dioxo-9,16,23-trioxatetracyclo[16.3.1.111,15.02,7]tricosa-1(22),2,4,6,18,20-hexaene-12,13,14-triyl tris(3,4,5-trihydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 3,4,5-trihydroxy-, 3,4,5,6,7,8-hexahydro-12,13,14,16,17,18-hexahydroxy-1,10-dioxo-10H-4,8-epoxy-15,11-metheno-1H-2,9-benzodioxacycloheptadecin-5,6,7-triyl ester [ACD/Index Name]
Tris(3,4,5-trihydroxybenzoate) de 3,4,5,19,20,21-hexahydroxy-8,17-dioxo-9,16,23-trioxatétracyclo[16.3.1.111,15.02,7]tricosa-1(22),2,4,6,18,20-hexaène-12,13,14-triyle [French] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1503.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 240.1±3.0 kJ/mol
Flash Point: 450.8±27.8 °C
Index of Refraction: 1.913
Molar Refractivity: 206.3±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1875.39
ACD/KOC (pH 5.5): 7406.47
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 89.21
ACD/KOC (pH 7.4): 352.32
Polar Surface Area: 444 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 196.5±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

Click to predict properties on the Chemicalize site


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