ChemSpider 2D Image | (2E,4E)-5-{7-Hydroxy-1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-4-methyl-2,4-pentadienoic acid | C22H32O3

(2E,4E)-5-{7-Hydroxy-1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-4-methyl-2,4-pentadienoic acid

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID24625500
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(2E,4E)-5-{7-Hydroxy-1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-4-methyl-2,4-pentadienoic acid [ACD/IUPAC Name]
(2E,4E)-5-{7-Hydroxy-1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl}-4-methyl-2,4-pentadiensäure [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 4-methyl-5-[1,2,4a,5,6,7,8,8a-octahydro-7-hydroxy-1,3,6-trimethyl-2-[(1E)-1-propen-1-yl]-1-naphthalenyl]-, (2E,4E)- [ACD/Index Name]
Acide (2E,4E)-5-{7-hydroxy-1,3,6-triméthyl-2-[(1E)-1-propén-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl}-4-méthyl-2,4-pentadiénoïque [French] [ACD/IUPAC Name]
Pannomycin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 498.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.3±6.0 kJ/mol
Flash Point: 269.4±25.2 °C
Index of Refraction: 1.591
Molar Refractivity: 106.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 724.36
ACD/KOC (pH 5.5): 2255.78
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 11.54
ACD/KOC (pH 7.4): 35.93
Polar Surface Area: 58 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 314.4±3.0 cm3

Click to predict properties on the Chemicalize site






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