Found 1 result

Search term: QWMIOBWBDTXOII-JTQLQIEISA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (4S)-5-Fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]pentanoic acid | C13H20FN2O7P

(4S)-5-Fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]pentanoic acid

  • Molecular FormulaC13H20FN2O7P
  • Average mass366.279 Da
  • Monoisotopic mass366.099213 Da
  • ChemSpider ID59053554

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-5-Fluor-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]pentansäure [German] [ACD/IUPAC Name]
(4S)-5-Fluoro-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]pentanoic acid [ACD/IUPAC Name]
Acide (4S)-5-fluoro-4-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)amino]pentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-fluoro-4-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]-, (4S)- [ACD/Index Name]
(4s)-5-Fluoro-4-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)amino]pentanoic Acid
76U

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

Density: 1.5±0.1 g/cm3
Boiling Point: 713.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.4±35.7 °C
Index of Refraction: 1.569
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -1.17
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 247.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement