2-[(Z)-[1-(2-Aminothiazol-4-Yl)-2-[[(1S)-1-[[(Z)-[(3R)-3-[4-[(2R)-2,3-Dihydroxypropyl]-3-(4,5-Dihydroxy-2-Pyridyl)-5-Oxo-1,2,4-Triazole-1,4-Diium-1-Yl]-3-Hydroxy-Blahcyclopent-5-Ylidene]Amino]Methyl]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethylidene]Amino]Oxy-2-Methyl-Propanoic Acid

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Formula C23H28N10O13S2
IUPAC Name 2-[(z)-[1-(2-aminothiazol-4-yl)-2-[[(1s)-1-[[(z)-[(3r)-3-[4-[(2r)-2,3-dihydroxypropyl]-3-(4,5-dihydroxy-2-pyridyl)-5-oxo-1,2,4-triazole-1,4-diium-1-yl]-3-hydroxy-blahcyclopent-5-ylidene]amino]methyl]-2-oxo-ethyl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
Molecular Mass 716.658 g·mol−1
Heat of Formation -1362.3 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 753.14 Å 3
Surface Area 545.3 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey JVOPYPNERYUSGO-DXKYJFGHSA-N
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