1-[(2-Carboxyphenyl)Amino]-1-Deoxy-5-O-Phosphono-D-Ribulose

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Properties Simple | Detailed

Formula C12H16NO9P
IUPAC Name 2-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]amino]benzoic acid
Molecular Mass 349.231 g·mol−1
Heat of Formation -1862.7 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 371.6 Å 3
Surface Area 316.59 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-carboxyphenylamino)-1'-deoxy-d-ribulose 5'-phosphate
  • 1-(2-carboxyphenylamino)-1-deoxy-d-erythro-pent-2-ulose 5-(dihydrogen phosphate)
  • 1-(2-carboxyphenylamino)-1-deoxy-d-ribulose 5-phosphate
  • 2-[[(3r,4r)-3,4-dihydroxy-2-keto-5-phosphonooxy-pentyl]amino]benzoic acid
  • 2-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]amino]benzoic acid
  • 2-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]amino]benzoic acid
CAS Number(s)
  • 5962-18-5
InChIKey QKMBYNRMPRKVTO-MNOVXSKESA-N
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