ChemSpider 2D Image | (2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]-2-butanyl}acetamide | C16H22N6O10S2

(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]-2-butanyl}acetamide

  • Molecular FormulaC16H22N6O10S2
  • Average mass522.510 Da
  • Monoisotopic mass522.083862 Da
  • ChemSpider ID35034933

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]-2-butanyl}acetamid [German] [ACD/IUPAC Name]
(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}-N-{(2S)-1-hydroxy-3-methyl-3-[(sulfooxy)amino]-2-butanyl}acetamide [ACD/IUPAC Name]
(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)méthoxy]imino}-N-{(2S)-1-hydroxy-3-méthyl-3-[(sulfooxy)amino]-2-butanyl}acétamide [French] [ACD/IUPAC Name]
(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(1,5-Dihydroxy-4-Oxo-1,4-Dihydropyridin-2-Yl)methoxy]imino}-N-{(2s)-1-Hydroxy-3-Methyl-3-[(Sulfooxy)amino]butan-2-Yl}ethanamide
4-Thiazoleacetamide, 2-amino-α-[[(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)methoxy]imino]-N-[(1S)-1-(hydroxymethyl)-2-methyl-2-[(sulfooxy)amino]propyl]-, (αZ)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -3.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 82.0±7.0 dyne/cm
Molar Volume: 294.3±7.0 cm3

Click to predict properties on the Chemicalize site


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