(2S,3S,4R,5S,6R)-3,4,5-Trihydroxy-6-[[4-(5-Nitro-2-Furyl)-5H-Thiazol-3-Ium-5-Id-2-Yl]Amino]Tetrahydropyran-2-Carboxylic Acid

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Formula C13H14N3O9S
IUPAC Name (2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-[[4-(5-nitro-2-furyl)-5h-thiazol-3-ium-5-id-2-yl]amino]tetrahydropyran-2-carboxylic acid
Molecular Mass 388.330 g·mol−1
Heat of Formation -931.4 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 399.47 Å 3
Surface Area 352.84 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
InChIKey LPJGOGFREVJPBQ-ORMBPQIASA-N
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