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Search term: QSBRCNGPJBWGLQ-LQDXOGNASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[(1r,3R,5S,7R)-3,5-Dimethyladamantan-1-yl]carbonyl}-D-phenylalanine | C22H29NO3

N-{[(1r,3R,5S,7R)-3,5-Dimethyladamantan-1-yl]carbonyl}-D-phenylalanine

  • Molecular FormulaC22H29NO3
  • Average mass355.471 Da
  • Monoisotopic mass355.214752 Da
  • ChemSpider ID123963134

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

D-Phenylalanine, N-[[(3R,5S)-3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl]carbonyl]- [ACD/Index Name]
N-{[(1r,3R,5S,7R)-3,5-Dimethyladamantan-1-yl]carbonyl}-D-phenylalanin [German] [ACD/IUPAC Name]
N-{[(1r,3R,5S,7R)-3,5-Dimethyladamantan-1-yl]carbonyl}-D-phenylalanine [ACD/IUPAC Name]
N-{[(1r,3R,5S,7R)-3,5-Diméthyladamantan-1-yl]carbonyl}-D-phénylalanine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.0±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 285.8±27.1 °C
Index of Refraction: 1.595
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 8.34
ACD/KOC (pH 5.5): 37.23
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.55
Polar Surface Area: 66 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 292.5±3.0 cm3

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