ChemSpider 2D Image | ieodomycin A | C13H22O4

ieodomycin A

  • Molecular FormulaC13H22O4
  • Average mass242.311 Da
  • Monoisotopic mass242.151810 Da
  • ChemSpider ID26633344

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5R,8E)-3,5-Dihydroxy-8-méthyl-8,10-undécadiénoate de méthyle [French] [ACD/IUPAC Name]
8,10-Undecadienoic acid, 3,5-dihydroxy-8-methyl-, methyl ester, (3S,5R,8E)- [ACD/Index Name]
ieodomycin A
Methyl (3S,5R,8E)-3,5-dihydroxy-8-methyl-8,10-undecadienoate [ACD/IUPAC Name]
Methyl-(3S,5R,8E)-3,5-dihydroxy-8-methyl-8,10-undecadienoat [German] [ACD/IUPAC Name]
(3S,5R,8E)-methyl 3,5-dihydroxy-8-methylundeca-8,10-dienoate
Methyl 3S,5R-dihydroxy-8-methyl-8E,10-undecadienoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 380.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.7±6.0 kJ/mol
Flash Point: 137.0±21.4 °C
Index of Refraction: 1.489
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.21
ACD/KOC (pH 5.5): 309.85
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.21
ACD/KOC (pH 7.4): 309.85
Polar Surface Area: 67 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site


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