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

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Properties Simple | Detailed

Formula C19H30N3O9+
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-oxo-3h-pyridin-1-ium-3-id-1-yl)tetrahydrofuran-2-yl]allyl]-2,3-dihydroxy-5-nitro-benzamide
Molecular Mass 444.456 g·mol−1
Heat of Formation -1003.7 ± 16.7 kJ·mol−1
Dipole Moment 8.73 ± 1.08 D
Volume 467.18 Å 3
Surface Area 356.57 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
InChIKey HVTOTCCLXQPREB-LDNIWRHMSA-N
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