1-[(2-Carboxyphenyl)Amino]-1-Deoxy-5-O-Phosphonopent-2-Ulose

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Properties Simple | Detailed

Formula C12H16NO9P
IUPAC Name 2-[[(3s,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]amino]benzoic acid
Molecular Mass 349.231 g·mol−1
Heat of Formation -1860.6 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 363.06 Å 3
Surface Area 334.17 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
InChIKey QKMBYNRMPRKVTO-GHMZBOCLSA-N
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