5-O-Phosphono-2-C-[(Phosphonooxy)Methyl]-D-Arabinonic Acid

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Properties Simple | Detailed

Formula C6H14O13P2
IUPAC Name (2s,3r,4r)-2,3,4-trihydroxy-5-phosphonooxy-2-(phosphonooxymethyl)pentanoic acid
Molecular Mass 356.115 g·mol−1
Heat of Formation -3037.2 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 336.74 Å 3
Surface Area 295.87 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r)-2,3,4-trihydroxy-5-phosphonooxy-2-(phosphonooxymethyl)pentanoic acid
  • (2s,3r,4r)-2,3,4-trihydroxy-5-phosphonooxy-2-(phosphonooxymethyl)valeric acid
  • 2-carboxyribitol 1,5-bisphosphate
  • 2-carboxyribitol 1,5-diphosphate
  • 2-crdd
  • d-arabinonic acid, 2-c-((phosphonooxy)methyl)-, 5-(dihydrogen phosphate)
CAS Number(s)
  • 29843-30-9
InChIKey ITHCSGCUQDMYAI-KODRXGBYSA-N
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