ChemSpider 2D Image | tumonoic acid E | C18H31NO4

tumonoic acid E

  • Molecular FormulaC18H31NO4
  • Average mass325.443 Da
  • Monoisotopic mass325.225311 Da
  • ChemSpider ID24706163

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(2S,3R,4E)-3-Hydroxy-2,4,6-trimethyl-4-decenoyl]-L-prolin [German] [ACD/IUPAC Name]
1-[(2S,3R,4E)-3-Hydroxy-2,4,6-trimethyl-4-decenoyl]-L-proline [ACD/IUPAC Name]
1-[(2S,3R,4E)-3-Hydroxy-2,4,6-triméthyl-4-decenoyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S,3R,4E)-3-hydroxy-2,4,6-trimethyl-1-oxo-4-decen-1-yl]- [ACD/Index Name]
tumonoic acid E
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496273/
tumonic acid E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 263.8±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 24.21
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 296.9±3.0 cm3

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