ChemSpider 2D Image | (2S,3R,2'R,3'R)-2,2'-[(1S)-1,1-Ethanediyl]bis(6-ethyl-3,5-dimethyl-2,3-dihydro-4H-pyran-4-one) | C20H30O4

(2S,3R,2'R,3'R)-2,2'-[(1S)-1,1-Ethanediyl]bis(6-ethyl-3,5-dimethyl-2,3-dihydro-4H-pyran-4-one)

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID28283279

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(2S,3R,2'R,3'R)-2,2'-[(1S)-1,1-Ethandiyl]bis(6-ethyl-3,5-dimethyl-2,3-dihydro-4H-pyran-4-on) [German] [ACD/IUPAC Name]
(2S,3R,2'R,3'R)-2,2'-[(1S)-1,1-Ethanediyl]bis(6-ethyl-3,5-dimethyl-2,3-dihydro-4H-pyran-4-one) [ACD/IUPAC Name]
(2S,3R,2'R,3'R)-2,2'-[(1S)-1,1-Éthanediyl]bis(6-éthyl-3,5-diméthyl-2,3-dihydro-4H-pyran-4-one) [French] [ACD/IUPAC Name]
L-glycero-D-gulo-Undeca-1,10-dieno-3,9-diulose, 1,5:7,11-dianhydro-2,4,6,8,10-pentadeoxy-1,11-di-C-ethyl-2,4,6,8,10-pentamethyl- [ACD/Index Name]
(+)-membrenone C
152273-83-1 [RN]
4H-Pyran-4-one, 2,2'-ethylidenebis[6-ethyl-2,3-dihydro-3,5-dimethyl-, (2R,2'S,3R,3'R)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 426.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 183.4±24.6 °C
Index of Refraction: 1.479
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1181.65
ACD/KOC (pH 5.5): 5506.63
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1181.65
ACD/KOC (pH 7.4): 5506.63
Polar Surface Area: 53 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 30.2±3.0 dyne/cm
Molar Volume: 329.8±3.0 cm3

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