ChemSpider 2D Image | (1R,2R)-2-Ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-5-tetracenolate | C22H17O8

(1R,2R)-2-Ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-5-tetracenolate

  • Molecular FormulaC22H17O8
  • Average mass409.366 Da
  • Monoisotopic mass409.092896 Da
  • ChemSpider ID31150462

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-2-Ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-5-tetracenolat [German] [ACD/IUPAC Name]
(1R,2R)-2-Ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-5-tetracenolate [ACD/IUPAC Name]
(1R,2R)-2-Éthyl-2,7-dihydroxy-1-(méthoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydro-5-tétracénolate [French] [ACD/IUPAC Name]
1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4,6,11-trioxo-, methyl ester, ion(1-), (1R,2R)- [ACD/Index Name]
(1R,2R)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracen-5-olate
Aklaviketone
aklaviketone(1-)
  • Miscellaneous

    • Chemical Class:

      A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). ChEBI CHEBI:77994

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

Density:
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 236.0±25.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 86.77
ACD/KOC (pH 5.5): 422.55
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 141 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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