ChemSpider 2D Image | 1-(6-Carboxy-2-oxo-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid | C18H12O10

1-(6-Carboxy-2-oxo-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid

  • Molecular FormulaC18H12O10
  • Average mass388.282 Da
  • Monoisotopic mass388.043060 Da
  • ChemSpider ID28571879

More details:

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

1-(6-Carboxy-2-oxo-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid [ACD/IUPAC Name]
1-(6-Carboxy-2-oxo-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalindicarbonsäure [German] [ACD/IUPAC Name]
2,3-Naphthalenedicarboxylic acid, 1-(6-carboxy-2-oxo-2H-pyran-3-yl)-1,2-dihydro-6,7-dihydroxy- [ACD/Index Name]
Acide 1-(6-carboxy-2-oxo-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydro-2,3-naphtalènedicarboxylique [French] [ACD/IUPAC Name]
171901-67-0 [RN]
2,3-NAPHTHALENEDICARBOXYLICACID, 1-(6-CARBOXY-2-OXO-2H-PYRAN-3-YL)-1,2-DIHYDRO-6,7-DIHYDROXY-, (1R,2R)-

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

Density: 1.8±0.1 g/cm3
Boiling Point: 818.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.7±3.0 kJ/mol
Flash Point: 300.0±27.8 °C
Index of Refraction: 1.757
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -4.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 116.0±3.0 dyne/cm
Molar Volume: 211.4±3.0 cm3

Click to predict properties on the Chemicalize site


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