ChemSpider 2D Image | AURANTIACIN | C32H20O8

AURANTIACIN

  • Molecular FormulaC32H20O8
  • Average mass532.496 Da
  • Monoisotopic mass532.115845 Da
  • ChemSpider ID229231

More details:

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

2,5-Bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1,4-diyl-dibenzoat [German] [ACD/IUPAC Name]
2,5-Bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl dibenzoate [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(benzoyloxy)-3,6-bis(4-hydroxyphenyl)- [ACD/Index Name]
4-(Benzoyloxy)-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl benzoate
AURANTIACIN
Dibenzoate de 2,5-bis(4-hydroxyphényl)-3,6-dioxo-1,4-cyclohexadiène-1,4-diyle [French] [ACD/IUPAC Name]
4,4''-Dihydroxy-3',6'-dioxo-3',6'-dihydro-[1,1':4',1''-terphenyl]-2',5'-diyl dibenzoate
548-32-3 [RN]
55306-03-1 [RN]
8TAT447CD8

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

AIDS125966 [DBID]
AIDS-125966 [DBID]
NCI60_042072 [DBID]
NSC 93050 [DBID]
NSC93050 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 760.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 252.6±26.4 °C
Index of Refraction: 1.721
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7450.47
ACD/KOC (pH 5.5): 20572.13
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7351.77
ACD/KOC (pH 7.4): 20299.58
Polar Surface Area: 127 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 78.6±5.0 dyne/cm
Molar Volume: 358.8±5.0 cm3

Click to predict properties on the Chemicalize site


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