ChemSpider 2D Image | (3E,5S,6S,7S,9R,11Z,13E,15S,16R)-16-Ethyl-6-hydroxy-5,7,9,15-tetramethyloxacyclohexadeca-3,11,13-triene-2,10-dione | C21H32O4

(3E,5S,6S,7S,9R,11Z,13E,15S,16R)-16-Ethyl-6-hydroxy-5,7,9,15-tetramethyloxacyclohexadeca-3,11,13-triene-2,10-dione

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID35787533

  • 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

(3E,5S,6S,7S,9R,11Z,13E,15S,16R)-16-Ethyl-6-hydroxy-5,7,9,15-tetramethyloxacyclohexadeca-3,11,13-trien-2,10-dion [German] [ACD/IUPAC Name]
(3E,5S,6S,7S,9R,11Z,13E,15S,16R)-16-Ethyl-6-hydroxy-5,7,9,15-tetramethyloxacyclohexadeca-3,11,13-triene-2,10-dione [ACD/IUPAC Name]
(3E,5S,6S,7S,9R,11Z,13E,15S,16R)-16-Éthyl-6-hydroxy-5,7,9,15-tétraméthyloxacyclohexadéca-3,11,13-triène-2,10-dione [French] [ACD/IUPAC Name]
Oxacyclohexadeca-3,11,13-triene-2,10-dione, 16-ethyl-6-hydroxy-5,7,9,15-tetramethyl-, (3E,5S,6S,7S,9R,11Z,13E,15S,16R)- [ACD/Index Name]
79495-87-7 [RN]
Protomycinolide IV

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

Density: 1.0±0.1 g/cm3
Boiling Point: 525.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 177.9±23.6 °C
Index of Refraction: 1.462
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 341.66
ACD/KOC (pH 5.5): 2265.44
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 341.66
ACD/KOC (pH 7.4): 2265.44
Polar Surface Area: 64 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 28.9±3.0 dyne/cm
Molar Volume: 362.3±3.0 cm3

Click to predict properties on the Chemicalize site


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