ChemSpider 2D Image | (7E,14alpha)-3,14-Dihydroxy-5-oxoophiobola-7,19-dien-25-al | C25H38O4

(7E,14α)-3,14-Dihydroxy-5-oxoophiobola-7,19-dien-25-al

  • Molecular FormulaC25H38O4
  • Average mass402.567 Da
  • Monoisotopic mass402.277008 Da
  • ChemSpider ID68899791

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(7E,14α)-3,14-Dihydroxy-5-oxoophiobola-7,19-dien-25-al [German] [ACD/IUPAC Name]
(7E,14α)-3,14-Dihydroxy-5-oxoophiobola-7,19-dien-25-al [ACD/IUPAC Name]
(7E,14α)-3,14-Dihydroxy-5-oxoophiobola-7,19-dién-25-al [French] [ACD/IUPAC Name]
Dicyclopenta[a,d]cyclooctene-4-carboxaldehyde, 7-[(1S)-1,5-dimethyl-4-hexen-1-yl]-1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydro-1,7-dihydroxy-1,9a-dimethyl-3-oxo-, (1R,3aS,4E,6aR,7R,9aR,10aS)- [ACD/Index Name]
5601-74-1 [RN]
Cochliobolin B
Ophiobolin B
Ophiobolin B|Cochliobolin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.5±6.0 kJ/mol
Flash Point: 296.5±26.6 °C
Index of Refraction: 1.562
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 575.18
ACD/KOC (pH 5.5): 3289.05
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 575.18
ACD/KOC (pH 7.4): 3289.05
Polar Surface Area: 75 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

Click to predict properties on the Chemicalize site


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