ChemSpider 2D Image | [(S)-({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid | C10H14NO5PS

[(S)-({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid

  • Molecular FormulaC10H14NO5PS
  • Average mass291.261 Da
  • Monoisotopic mass291.033020 Da
  • ChemSpider ID30834690

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(S)-({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid [ACD/IUPAC Name]
[(S)-({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [(S)-({2-[hydroxy(méthyl)amino]-2-oxoéthyl}sulfanyl)(phényl)méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(S)-[[2-(hydroxymethylamino)-2-oxoethyl]thio]phenylmethyl]- [ACD/Index Name]
1UQ

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

Density: 1.5±0.1 g/cm3
Boiling Point: 517.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.9±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -3.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 77.0±3.0 dyne/cm
Molar Volume: 191.0±3.0 cm3

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