ChemSpider 2D Image | tumonic acid D | C16H29NO3

tumonic acid D

  • Molecular FormulaC16H29NO3
  • Average mass283.406 Da
  • Monoisotopic mass283.214752 Da
  • ChemSpider ID24706162

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(2S)-2-Methyldecanoyl]-L-prolin [German] [ACD/IUPAC Name]
1-[(2S)-2-Methyldecanoyl]-L-proline [ACD/IUPAC Name]
1-[(2S)-2-Méthyldecanoyl]-L-proline [French] [ACD/IUPAC Name]
L-Proline, 1-[(2S)-2-methyl-1-oxodecyl]- [ACD/Index Name]
tumonic acid D
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL496272/
tumonoic acid D

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

Density: 1.0±0.1 g/cm3
Boiling Point: 447.9±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 224.7±26.8 °C
Index of Refraction: 1.492
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 11.13
ACD/KOC (pH 5.5): 60.34
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.43
Polar Surface Area: 58 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

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