ChemSpider 2D Image | (1R,2S)-1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid | C18H14O8

(1R,2S)-1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid

  • Molecular FormulaC18H14O8
  • Average mass358.299 Da
  • Monoisotopic mass358.068878 Da
  • ChemSpider ID24681519

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalenedicarboxylic acid [ACD/IUPAC Name]
(1R,2S)-1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydro-2,3-naphthalindicarbonsäure [German] [ACD/IUPAC Name]
2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-, (1R,2S)- [ACD/Index Name]
Acide (1R,2S)-1-(3,4-dihydroxyphényl)-6,7-dihydroxy-1,2-dihydro-2,3-naphtalènedicarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 713.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 399.2±29.4 °C
Index of Refraction: 1.765
Molar Refractivity: 86.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 104.7±3.0 dyne/cm
Molar Volume: 209.9±3.0 cm3

Click to predict properties on the Chemicalize site


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