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ChemSpider 2D Image | [({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(4-methylphenyl)methyl]phosphonic acid | C11H16NO5PS

[({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(4-methylphenyl)methyl]phosphonic acid

  • Molecular FormulaC11H16NO5PS
  • Average mass305.287 Da
  • Monoisotopic mass305.048676 Da
  • ChemSpider ID30834697

More details:

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

[({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(4-methylphenyl)methyl]phosphonic acid [ACD/IUPAC Name]
[({2-[Hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(4-methylphenyl)methyl]phosphonsäure [German] [ACD/IUPAC Name]
Acide [({2-[hydroxy(méthyl)amino]-2-oxoéthyl}sulfanyl)(4-méthylphényl)méthyl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [[[2-(hydroxymethylamino)-2-oxoethyl]thio](4-methylphenyl)methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 527.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.0±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 73.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 207.3±3.0 cm3

Click to predict properties on the Chemicalize site


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