ChemSpider 2D Image | [(1S)-4-[Hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid | C12H18NO6P

[(1S)-4-[Hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid

  • Molecular FormulaC12H18NO6P
  • Average mass303.248 Da
  • Monoisotopic mass303.087158 Da
  • ChemSpider ID35034033
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

[(1S)-4-[Hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid [ACD/IUPAC Name]
[(1S)-4-[Hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(1S)-4-[hydroxy(méthyl)amino]-1-(4-méthoxyphényl)-4-oxobutyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(1S)-4-(hydroxymethylamino)-1-(4-methoxyphenyl)-4-oxobutyl]- [ACD/Index Name]
LSX

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 562.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.9±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 62.5±3.0 dyne/cm
Molar Volume: 217.6±3.0 cm3

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