N-{(2E)-3-[(2R,3S,4R,5S)-3,4-Dihydroxy-5-(4-Pyridinylsulfanyl)Tetrahydro-2-Furanyl]-2-Propen-1-Yl}-2,3-Dihydroxy-5-Nitrobenzamide

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Properties Simple | Detailed

Formula C19H19N3O8S
IUPAC Name n-[(e)-3-[(2r,3s,4r,5s)-3,4-dihydroxy-5-(3h-pyridin-1-ium-3-id-4-ylsulfanyl)tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide
Molecular Mass 449.434 g·mol−1
Heat of Formation -807.6 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 490.67 Å 3
Surface Area 370.98 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.36 ± eV
Point Group Symmetry C1
InChIKey XRZIENNFYKGKSZ-GXSCOFJOSA-N
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