ChemSpider 2D Image | ieodomycin B | C12H18O3

ieodomycin B

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID26628550
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(4S,6R)-4-Hydroxy-6-[(3E)-3-methyl-3,5-hexadien-1-yl]tetrahydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(4S,6R)-4-Hydroxy-6-[(3E)-3-methyl-3,5-hexadien-1-yl]tetrahydro-2H-pyran-2-one [ACD/IUPAC Name]
(4S,6R)-4-Hydroxy-6-[(3E)-3-méthyl-3,5-hexadién-1-yl]tétrahydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, tetrahydro-4-hydroxy-6-[(3E)-3-methyl-3,5-hexadien-1-yl]-, (4S,6R)- [ACD/Index Name]
ieodomycin B
(4S,6R)-4-hydroxy-6-((E)-3-methylhexa-3,5-dienyl)tetrahydro-2H-pyran-2-one
leodomycin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 370.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 157.7±15.9 °C
Index of Refraction: 1.498
Molar Refractivity: 58.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.49
ACD/KOC (pH 5.5): 258.74
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.49
ACD/KOC (pH 7.4): 258.74
Polar Surface Area: 47 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 199.6±3.0 cm3

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