ChemSpider 2D Image | (3alpha,7E,11xi,15xi)-3-Hydroxy-5-oxoophiobola-7,19-dien-25-al | C25H38O3

(3α,7E,11ξ,15ξ)-3-Hydroxy-5-oxoophiobola-7,19-dien-25-al

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID58816715

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3α,7E,11ξ,15ξ)-3-Hydroxy-5-oxoophiobola-7,19-dien-25-al [German] [ACD/IUPAC Name]
(3α,7E,11ξ,15ξ)-3-Hydroxy-5-oxoophiobola-7,19-dien-25-al [ACD/IUPAC Name]
(3α,7E,11ξ,15ξ)-3-Hydroxy-5-oxoophiobola-7,19-dién-25-al [French] [ACD/IUPAC Name]
Dicyclopenta[a,d]cyclooctene-4-carboxaldehyde, 7-(1,5-dimethyl-4-hexen-1-yl)-1,2,3,3a,6,6a,7,8,9,9a,10,10a-dodecahydro-1-hydroxy-1,9a-dimethyl-3-oxo-, (1S,3aS,4E,6aS,7R,10aS)- [ACD/Index Name]
19022-51-6 [RN]
ophiobolin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 277.8±26.6 °C
Index of Refraction: 1.545
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8957.21
ACD/KOC (pH 5.5): 23472.26
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8957.20
ACD/KOC (pH 7.4): 23472.26
Polar Surface Area: 54 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 363.0±3.0 cm3

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