ChemSpider 2D Image | (1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate | C19H23O6

(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate

  • Molecular FormulaC19H23O6
  • Average mass347.383 Da
  • Monoisotopic mass347.150024 Da
  • ChemSpider ID26606384

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1E,2Z)-3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate
(2Z,4E)-2-Hydroxy-5-methyl-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]-6-oxo-2,4-octadienoat [German] [ACD/IUPAC Name]
(2Z,4E)-2-Hydroxy-5-methyl-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]-6-oxo-2,4-octadienoate [ACD/IUPAC Name]
(2Z,4E)-2-Hydroxy-5-méthyl-8-[(3aS,4S,7aS)-7a-méthyl-1,5-dioxooctahydro-1H-indén-4-yl]-6-oxo-2,4-octadiénoate [French] [ACD/IUPAC Name]
2,4-Octadienoic acid, 2-hydroxy-5-methyl-8-[(3aS,4S,7aS)-octahydro-7a-methyl-1,5-dioxo-1H-inden-4-yl]-6-oxo-, ion(1-), (2Z,4E)- [ACD/Index Name]
(2Z,4E)-2-hydroxy-5-methyl-8-[(3aS,4S,7aS)-7a-methyl-1,5-dioxooctahydro-1H-inden-4-yl]-6-oxoocta-2,4-dienoate

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

CHEBI:63690 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate that has 1E,2Z geometry. ChEBI CHEBI:63690

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

Density:
Boiling Point: 584.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 321.5±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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