ChemSpider 2D Image | CSID:8209369 | C41H30O26

  • Molecular FormulaC41H30O26
  • Average mass938.661 Da
  • Monoisotopic mass938.102539 Da
  • ChemSpider ID8209369

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(11aR,13S,14R,15S,15aR)-2,4,5,7-Tetrahydroxy-3,6,9,17-tetraoxo-3,6,8a,9,11,11a,13,14,15,15a,17,17a-dodecahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-13,14,15-triyl-tris(3,4,5-trihydroxybenzoa t) [German] [ACD/IUPAC Name]
Tris(3,4,5-trihydroxybenzoate) de (11aR,13S,14R,15S,15aR)-2,4,5,7-tétrahydroxy-3,6,9,17-tétraoxo-3,6,8a,9,11,11a,13,14,15,15a,17,17a-dodécahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundécine-13,14,1 5-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: 1546.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 251.3±3.0 kJ/mol
Flash Point: 462.6±27.8 °C
Index of Refraction: 1.856
Molar Refractivity: 203.8±0.4 cm3
#H bond acceptors: 26
#H bond donors: 13
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 8.56
ACD/KOC (pH 5.5): 79.97
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 438 Å2
Polarizability: 80.8±0.5 10-24cm3
Surface Tension: 166.9±5.0 dyne/cm
Molar Volume: 454.1±5.0 cm3

Click to predict properties on the Chemicalize site


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