ChemSpider 2D Image | 1-[2-(5-Carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid | C28H20O12

1-[2-(5-Carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid

  • Molecular FormulaC28H20O12
  • Average mass548.451 Da
  • Monoisotopic mass548.095459 Da
  • ChemSpider ID8026187

More details:

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

1-[2-(5-Carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracencarbonsäure [German] [ACD/IUPAC Name]
1-[2-(5-Carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid [ACD/IUPAC Name]
1-[2-(5-carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
2-Anthracenecarboxylic acid, 1-[2-(5-carboxy-4-hydroxy-1-oxopentyl)-6-hydroxybenzoyl]-9,10-dihydro-3,8-dihydroxy-9,10-dioxo- [ACD/Index Name]
Acide 1-[2-(5-carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl]-3,8-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracènecarboxylique [French] [ACD/IUPAC Name]
1-(2-(5-carboxy-4-hydroxypentanoyl)-6-hydroxybenzoyl)-3,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
mumbaistatin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1004.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.6±3.0 kJ/mol
Flash Point: 575.0±30.8 °C
Index of Refraction: 1.722
Molar Refractivity: 132.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.16
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 224 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 92.5±3.0 dyne/cm
Molar Volume: 335.1±3.0 cm3

Click to predict properties on the Chemicalize site


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