ChemSpider 2D Image | {2-[(1,4-Dihydroxy-2-butanyl)amino]-2-oxoethyl}phosphonic acid | C6H14NO6P

{2-[(1,4-Dihydroxy-2-butanyl)amino]-2-oxoethyl}phosphonic acid

  • Molecular FormulaC6H14NO6P
  • Average mass227.152 Da
  • Monoisotopic mass227.055878 Da
  • ChemSpider ID23304755

More details:

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

{2-[(1,4-Dihydroxy-2-butanyl)amino]-2-oxoethyl}phosphonic acid [ACD/IUPAC Name]
{2-[(1,4-Dihydroxy-2-butanyl)amino]-2-oxoethyl}phosphonsäure [German] [ACD/IUPAC Name]
{2-[(1,4-dihydroxybutan-2-yl)amino]-2-oxoethyl}phosphonic acid
Acide {2-[(1,4-dihydroxy-2-butanyl)amino]-2-oxoéthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [2-[[3-hydroxy-1-(hydroxymethyl)propyl]amino]-2-oxoethyl]- [ACD/Index Name]
2-(1,4-dihydroxybutan-2-ylamino)-2-oxoethylphosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL394070/

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 46.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -4.07
ACD/LogD (pH 5.5): -6.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 78.2±3.0 dyne/cm
Molar Volume: 148.1±3.0 cm3

Click to predict properties on the Chemicalize site


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