ChemSpider 2D Image | (4R,5S,6S,7S,9R,11Z,13Z,16R)-7-Ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione (non-preferred name) | C20H32O6

(4R,5S,6S,7S,9R,11Z,13Z,16R)-7-Ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione (non-preferred name)

  • Molecular FormulaC20H32O6
  • Average mass368.465 Da
  • Monoisotopic mass368.219879 Da
  • ChemSpider ID129308764

  • 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

(4R,5S,6S,7S,9R,11Z,13Z,16R)-7-Ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-dien-2,10-dion (non-preferred name) [German] [ACD/IUPAC Name]
(4R,5S,6S,7S,9R,11Z,13Z,16R)-7-Ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyloxacyclohexadeca-11,13-diene-2,10-dione (non-preferred name) [ACD/IUPAC Name]
(4R,5S,6S,7S,9R,11Z,13Z,16R)-7-Éthyl-4,6-dihydroxy-5-méthoxy-9,16-diméthyloxacyclohexadéca-11,13-diène-2,10-dione (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.1±6.0 kJ/mol
Flash Point: 195.2±23.6 °C
Index of Refraction: 1.513
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.57
ACD/KOC (pH 5.5): 421.20
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.57
ACD/KOC (pH 7.4): 421.20
Polar Surface Area: 93 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 329.8±5.0 cm3

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