(2R)-2-[(1S)-1,2-Dihydroxyethyl]-4-Hydroxy-5-Oxo-2,5-Dihydro-3-Furanyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C6H9O9P
IUPAC Name [(2r)-2-[(1s)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2h-furan-3-yl] dihydrogen phosphate
Molecular Mass 256.104 g·mol−1
Heat of Formation -1832.1 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 250.13 Å 3
Surface Area 233.87 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-[(1s)-1,2-dihydroxyethyl]-4-hydroxy-5-keto-2h-furan-3-yl] dihydrogen phosphate
  • [(2r)-2-[(1s)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2h-furan-3-yl] dihydrogen phosphate
  • ascorbate-3-phosphate
  • ascorbyl-3-phosphate
  • l-ascorbic acid, 3-(dihydrogen phosphate)
CAS Number(s)
  • 21090-54-0
InChIKey POXJXWXPDYFTJM-ZAFYKAAXSA-N
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