ChemSpider 2D Image | (2E)-2-{[(2S)-2-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}acetyl]amino}-3-oxopropoxy]imino}pentanedioic acid | C19H20N6O11S

(2E)-2-{[(2S)-2-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}acetyl]amino}-3-oxopropoxy]imino}pentanedioic acid

  • Molecular FormulaC19H20N6O11S
  • Average mass540.461 Da
  • Monoisotopic mass540.091064 Da
  • ChemSpider ID35034932
  • 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

(2e)-2-({[(2s)-2-{[(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(1,5-Dihydroxy-4-Oxo-1,4-Dihydropyridin-2-Yl)methoxy]imino}acetyl]amino}-3-Oxopropyl]oxy}imino)pentanedioic Acid
(2E)-2-{[(2S)-2-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}acetyl]amino}-3-oxopropoxy]imino}pentandisäure [German] [ACD/IUPAC Name]
(2E)-2-{[(2S)-2-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)methoxy]imino}acetyl]amino}-3-oxopropoxy]imino}pentanedioic acid [ACD/IUPAC Name]
Acide (2E)-2-{[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxo-1,4-dihydro-2-pyridinyl)méthoxy]imino}acétyl]amino}-3-oxopropoxy]imino}pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2-[[(2S)-2-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[[(1,4-dihydro-1,5-dihydroxy-4-oxo-2-pyridinyl)methoxy]imino]-1-oxoethyl]amino]-3-oxopropoxy]imino]-, (2E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.711
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -3.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 83.3±7.0 dyne/cm
Molar Volume: 310.4±7.0 cm3

Click to predict properties on the Chemicalize site






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