ChemSpider 2D Image | [(1Z)-3-[Acetyl(hydroxy)amino]-1-(2-thienyl)-1-propen-1-yl]phosphonic acid | C9H12NO5PS

[(1Z)-3-[Acetyl(hydroxy)amino]-1-(2-thienyl)-1-propen-1-yl]phosphonic acid

  • Molecular FormulaC9H12NO5PS
  • Average mass277.234 Da
  • Monoisotopic mass277.017365 Da
  • ChemSpider ID23306846

  • Double-bond stereo - Double-bond stereo

More details:

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

[(1Z)-3-[Acetyl(hydroxy)amino]-1-(2-thienyl)-1-propen-1-yl]phosphonic acid [ACD/IUPAC Name]
[(1Z)-3-[Acetyl(hydroxy)amino]-1-(2-thienyl)-1-propen-1-yl]phosphonsäure [German] [ACD/IUPAC Name]
[(1Z)-3-[acetyl(hydroxy)amino]-1-(thiophen-2-yl)prop-1-en-1-yl]phosphonic acid
Acide [(1Z)-3-[acétyl(hydroxy)amino]-1-(2-thiényl)-1-propén-1-yl]phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [(1Z)-3-(acetylhydroxyamino)-1-(2-thienyl)-1-propen-1-yl]- [ACD/Index Name]
(Z)-3-(N-hydroxyacetamido)-1-(thiophen-2-yl)prop-1-enylphosphonic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401185/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 580.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.0±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 63.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -4.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 77.7±3.0 dyne/cm
Molar Volume: 177.3±3.0 cm3

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