ChemSpider 2D Image | (3,10-Dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylene-1,12-diyl)di-1,2-propanediyl bis(4-hydroxybenzoate) | C44H38O14

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

  • Molecular FormulaC44H38O14
  • Average mass790.764 Da
  • Monoisotopic mass790.226135 Da
  • ChemSpider ID115284

More details:

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

(3,10-Dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylen-1,12-diyl)di-1,2-propandiyl-bis(4-hydroxybenzoat) [German] [ACD/IUPAC Name]
(3,10-Dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-4,9-dihydroperylene-1,12-diyl)di-1,2-propanediyl bis(4-hydroxybenzoate) [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (4,9-dihydro-3,10-dihydroxy-2,6,7,11-tetramethoxy-4,9-dioxo-1,12-perylenediyl)bis-1-methyl-2,1-ethanediyl ester [ACD/Index Name]
Bis(4-hydroxybenzoate) de (3,10-dihydroxy-2,6,7,11-tétraméthoxy-4,9-dioxo-4,9-dihydropérylène-1,12-diyl)di-1,2-propanediyle [French] [ACD/IUPAC Name]
1-{3,10-DIHYDROXY-12-[2-(4-HYDROXYBENZOYLOXY)PROPYL]-2,6,7,11-TETRAMETHOXY-4,9-DIOXO-4,9-DIHYDROPERYLEN-1-YL}PROPAN-2-YL 4-HYDROXYBENZOATE
1-{3,10-DIHYDROXY-12-[2-(4-HYDROXYBENZOYLOXY)PROPYL]-2,6,7,11-TETRAMETHOXY-4,9-DIOXOPERYLEN-1-YL}PROPAN-2-YL 4-HYDROXYBENZOATE
124857-59-6 [RN]
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
Calphostin I
Ucn 1028 I

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1069.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 162.1±3.0 kJ/mol
Flash Point: 326.3±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 206.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 358251.31
ACD/KOC (pH 5.5): 326500.31
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 82138.63
ACD/KOC (pH 7.4): 74858.87
Polar Surface Area: 205 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 83.4±5.0 dyne/cm
Molar Volume: 522.1±5.0 cm3

Click to predict properties on the Chemicalize site


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