ChemSpider 2D Image | 5-(cis-1,4-Dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone | C26H37NO5

5-(cis-1,4-Dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone

  • Molecular FormulaC26H37NO5
  • Average mass443.576 Da
  • Monoisotopic mass443.267181 Da
  • ChemSpider ID24534929

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(1H)-Pyridinone, 5-(cis-1,4-dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-1-oxo-2,4,6-dodecatrien-1-yl]- [ACD/Index Name]
5-(cis-1,4-Dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
5-(cis-1,4-Dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone [ACD/IUPAC Name]
5-(cis-1,4-Dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-triméthyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
5-(cis-1,4-Dihydroxycyclohexyl)-4-hydroxy-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2(1H)-one
(+)-cis-5-(1,4-dihydroxycyclohexyl)-4-dihydroxy-3-[(2E,4E,6E)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone
(+)-deoxymilitarinone A
(+)-N-DEOXYMILITARINONE A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481849/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 333.7±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 11.60
ACD/KOC (pH 5.5): 109.29
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.83
Polar Surface Area: 107 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 376.3±3.0 cm3

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