(8S)-8-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]-7-Oxononanoic Acid

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Properties Simple | Detailed

Formula C17H27N2O8P
IUPAC Name (8s)-8-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-7-oxo-nonanoic acid
Molecular Mass 418.379 g·mol−1
Heat of Formation -1804.5 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 490.37 Å 3
Surface Area 390.87 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (8s)-8-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-7-keto-pelargonic acid
  • (8s)-8-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-7-oxo-nonanoic acid
  • (8s)-8-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-7-oxononanoic acid
  • (8s)-8-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-7-oxo-nonanoic acid
  • (8s)-8-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-7-oxononanoic acid
  • kam
  • n-[7-keto-8-aminopelargonic acid]-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]
  • n-pyridoxyl-7-keto-8-aminopelargonic acid-5'-monophosphate
InChIKey YXEXNGWPUWJMIT-NSHDSACASA-N
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