ChemSpider 2D Image | tumonoic acid F | C21H37NO5

tumonoic acid F

  • Molecular FormulaC21H37NO5
  • Average mass383.522 Da
  • Monoisotopic mass383.267181 Da
  • ChemSpider ID24707660

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[(2S,3S)-3-Acetoxy-2,4-dimethyldodecanoyl]-L-prolin [German] [ACD/IUPAC Name]
1-[(2S,3S)-3-Acetoxy-2,4-dimethyldodecanoyl]-L-proline [ACD/IUPAC Name]
1-[(2S,3S)-3-Acétoxy-2,4-diméthyldodecanoyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S,3S)-3-(acetyloxy)-2,4-dimethyl-1-oxododecyl]- [ACD/Index Name]
tumonoic acid F
(2S)-1-[(2S,3S)-3-acetyloxy-2,4-dimethyldodecanoyl]pyrrolidine-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497483/
tumonic acid F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 533.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 276.5±28.7 °C
Index of Refraction: 1.490
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 43.85
ACD/KOC (pH 5.5): 147.93
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 4.07
Polar Surface Area: 84 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 359.0±3.0 cm3

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