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Search term: PGLFYYYVMFEVNN-OALUTQOASA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(1S,3S)-3-Amino-1-hydroxy-5-(4-octylphenyl)pentyl]phosphonic acid | C19H34NO4P

[(1S,3S)-3-Amino-1-hydroxy-5-(4-octylphenyl)pentyl]phosphonic acid

  • Molecular FormulaC19H34NO4P
  • Average mass371.451 Da
  • Monoisotopic mass371.222534 Da
  • ChemSpider ID23197676

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S,3S)-3-Amino-1-hydroxy-5-(4-octylphenyl)pentyl]phosphonic acid [ACD/IUPAC Name]
[(1S,3S)-3-Amino-1-hydroxy-5-(4-octylphenyl)pentyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(1S,3S)-3-amino-1-hydroxy-5-(4-octylphényl)pentyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(1S,3S)-3-amino-1-hydroxy-5-(4-octylphenyl)pentyl]- [ACD/Index Name]
[(1S,3S)-3-Amino-1-hydroxy-5-(4-octyl-phenyl)-pentyl]-phosphonic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 303.1±32.9 °C
Index of Refraction: 1.541
Molar Refractivity: 102.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): -0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 114 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 324.7±3.0 cm3

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