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

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Properties Simple | Detailed

Formula C12H18NO9P
IUPAC Name 2-[[(2r,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]amino]benzoic acid
Molecular Mass 351.246 g·mol−1
Heat of Formation -1931.2 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 373.26 Å 3
Surface Area 343.09 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(o-carboxy-phenylamino)-1-deoxy-d-ribulose-5-phosphate
  • 2-[[(2r,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]amino]benzoic acid
  • 2-[[(2r,3s,4r)-2,3,4-trihydroxy-5-phosphonooxypentyl]amino]benzoic acid
InChIKey AULMJMUNCOBRHC-MXWKQRLJSA-N
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