(3R)-2,3-Dihydroxy-N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)-L-Aspartic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C12H17N2O11P
IUPAC Name (2r,3r)-2,3-dihydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanedioic acid
Molecular Mass 396.244 g·mol−1
Heat of Formation -2265.3 ± 16.7 kJ·mol−1
Dipole Moment 2.13 ± 1.08 D
Volume 405.72 Å 3
Surface Area 332.43 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2,3-dihydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]butanedioic acid
  • (2r,3r)-2,3-dihydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]succinic acid
  • (2r,3r)-2,3-dihydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]butanedioic acid
  • n-pyridoxyl-2,3-dihydroxyaspartic acid-5-monophosphate
InChIKey SMJZVFGOJYUMBO-JOYOIKCWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements P C H O N