ChemSpider 2D Image | laccaic acid A | C26H19NO12

laccaic acid A

  • Molecular FormulaC26H19NO12
  • Average mass537.429 Da
  • Monoisotopic mass537.090698 Da
  • ChemSpider ID4590519

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1,2-Anthracenedicarboxylic acid, 7-[5-[2-(acetylamino)ethyl]-2-hydroxyphenyl]-9,10-dihydro-3,5,6,8-tetrahydroxy-9,10-dioxo- [ACD/Index Name]
15979-35-8 [RN]
7-[5-(2-Acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracendicarbonsäure [German] [ACD/IUPAC Name]
7-[5-(2-Acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracenedicarboxylic acid [ACD/IUPAC Name]
7-{5-[2-(acetylamino)ethyl]-2-hydroxyphenyl}-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid
Acide 7-[5-(2-acétamidoéthyl)-2-hydroxyphényl]-3,5,6,8-tétrahydroxy-9,10-dioxo-9,10-dihydro-1,2-anthracènedicarboxylique [French] [ACD/IUPAC Name]
laccaic acid A
Laccaic Acid A1
7-[5-(2-acetamidoethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid
7-[5-(2-ACETAMIDOETHYL)-2-HYDROXYPHENYL]-3,5,6,8-TETRAHYDROXY-9,10-DIOXOANTHRACENE-1,2-DICARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 995.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.1±3.0 kJ/mol
Flash Point: 555.7±34.3 °C
Index of Refraction: 1.760
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 3.44
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 239 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 102.0±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

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