ChemSpider 2D Image | ethyl tumonoate A | C21H37NO4

ethyl tumonoate A

  • Molecular FormulaC21H37NO4
  • Average mass367.523 Da
  • Monoisotopic mass367.272247 Da
  • ChemSpider ID26619615

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(2R,3S,4E)-3-Hydroxy-2,4-diméthyl-4-dodecenoyl]-L-prolinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-4-dodecenoyl]-L-prolinate [ACD/IUPAC Name]
ethyl tumonoate A
Ethyl-1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-4-dodecenoyl]-L-prolinat [German] [ACD/IUPAC Name]
L-Proline, 1-[(2R,3S,4E)-3-hydroxy-2,4-dimethyl-1-oxo-4-dodecen-1-yl]-, ethyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 500.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.5±6.0 kJ/mol
Flash Point: 256.4±30.1 °C
Index of Refraction: 1.496
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5435.96
ACD/KOC (pH 5.5): 16417.35
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5435.96
ACD/KOC (pH 7.4): 16417.35
Polar Surface Area: 67 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 354.9±3.0 cm3

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