ChemSpider 2D Image | Dimethyl 5,5'-dihydroxy-2,2'-bis(3-methyl-5-oxotetrahydro-2-furanyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromene-2,2'-dicarboxylate | C32H30O14

Dimethyl 5,5'-dihydroxy-2,2'-bis(3-methyl-5-oxotetrahydro-2-furanyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromene-2,2'-dicarboxylate

  • Molecular FormulaC32H30O14
  • Average mass638.572 Da
  • Monoisotopic mass638.163574 Da
  • ChemSpider ID27023609

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

[8,8'-Bi-2H-1-benzopyran]-2,2'-dicarboxylic acid, 3,3',4,4'-tetrahydro-5,5'-dihydroxy-4,4'-dioxo-2,2'-bis(tetrahydro-3-methyl-5-oxo-2-furanyl)-, dimethyl ester [ACD/Index Name]
5,5'-Dihydroxy-2,2'-bis(3-méthyl-5-oxotétrahydro-2-furanyl)-4,4'-dioxo-3,3',4,4'-tétrahydro-2H,2'H-8,8'-bichromène-2,2'-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5,5'-dihydroxy-2,2'-bis(3-methyl-5-oxotetrahydro-2-furanyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromene-2,2'-dicarboxylate [ACD/IUPAC Name]
Dimethyl-5,5'-dihydroxy-2,2'-bis(3-methyl-5-oxotetrahydro-2-furanyl)-4,4'-dioxo-3,3',4,4'-tetrahydro-2H,2'H-8,8'-bichromen-2,2'-dicarboxylat [German] [ACD/IUPAC Name]
paecilin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 901.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.5±3.0 kJ/mol
Flash Point: 292.5±27.8 °C
Index of Refraction: 1.611
Molar Refractivity: 150.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 129.09
ACD/KOC (pH 5.5): 1111.41
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 17.22
ACD/KOC (pH 7.4): 148.21
Polar Surface Area: 198 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 432.2±3.0 cm3

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