Found 1 result

Search term: MQFBHTBQDHLAQJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4,9-Dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylene-1,12-diyl)di-1,2-propanediyl bis(4-hydroxybenzoate) | C44H38O14

(4,9-Dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylene-1,12-diyl)di-1,2-propanediyl bis(4-hydroxybenzoate)

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID64884591

More details:

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

(4,9-Dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylen-1,12-diyl)di-1,2-propandiyl-bis(4-hydroxybenzoat) [German] [ACD/IUPAC Name]
(4,9-Dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-3,10-dihydroperylene-1,12-diyl)di-1,2-propanediyl bis(4-hydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1,12-perylenediyl)bis-1-methyl-2,1-ethanediyl ester [ACD/Index Name]
Bis(4-hydroxybenzoate) de (4,9-dihydroxy-2,6,7,11-tétraméthoxy-3,10-dioxo-3,10-dihydropérylène-1,12-diyl)di-1,2-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1060.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.7±3.0 kJ/mol
Flash Point: 323.6±27.8 °C
Index of Refraction: 1.720
Molar Refractivity: 206.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 10.01
ACD/LogD (pH 5.5): 9.08
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2029380.63
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 780712.00
ACD/KOC (pH 7.4): 343053.44
Polar Surface Area: 205 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 522.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement