4-({[(6R,7R)-7-{[(2-Amino-1,3-Thiazol-4-Yl){[(1,5-Dihydroxy-4-Oxo-1,4-Dihydro-2-Pyridinyl)Carbonyl]Amino}Acetyl]Amino}-2-Carboxy-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-En-3-Yl]Methyl}Sulfanyl)-1-(2-Hydroxyethyl)Pyridinium

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Properties Simple | Detailed

Formula C26H17N7O9S3+
IUPAC Name carbon dioxide; [1-[(2z)-2-cyanoimino-1-[[3-[[1-(2-hydroxyethynyl)-2h-pyridin-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-ylidene]ammoniocarbonyl]-3-sulfoniumylidyne-propylidene]ammoniocarbonyl-3-hydroxy-prop-2-ynyl]-hydroxy-(2-hydroxyethynyl)ammonium
Molecular Mass 667.650 g·mol−1
Heat of Formation 2083.7 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 674.5 Å 3
Surface Area 564.98 Å 2
Point Group Symmetry C1
InChIKey NRHJTCQXBIEKIC-KHCICDEESA-O
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