ChemSpider 2D Image | Militarinone F, (rel)- | C26H35NO5

Militarinone F, (rel)-

  • Molecular FormulaC26H35NO5
  • Average mass441.560 Da
  • Monoisotopic mass441.251526 Da
  • ChemSpider ID35518357

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,4-Dihydroxy-5-(7-oxabicyclo[2.2.1]hept-1-yl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1,4-Dihydroxy-5-(7-oxabicyclo[2.2.1]hept-1-yl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone [ACD/IUPAC Name]
1,4-Dihydroxy-5-(7-oxabicyclo[2.2.1]hept-1-yl)-3-[(2E,4E,6E,8R,10R)-6,8,10-triméthyl-2,4,6-dodecatrienoyl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1,4-dihydroxy-5-(7-oxabicyclo[2.2.1]hept-1-yl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-1-oxo-2,4,6-dodecatrien-1-yl]- [ACD/Index Name]
Militarinone F, (rel)-
rel-1,4-dihydroxy-5-(7-oxabicyclo[2.2.1]heptan-4-yl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 292.5±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 11.65
ACD/KOC (pH 5.5): 87.18
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 360.5±3.0 cm3

Click to predict properties on the Chemicalize site


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