Cas no 7336-80-3 (inositol 2-monophosphate)

inositol 2-monophosphate structure
inositol 2-monophosphate structure
Product Name:inositol 2-monophosphate
CAS No:7336-80-3
MF:C6H13O9P
MW:260.135783910751
CID:977998
PubChem ID:160886
Update Time:2025-04-19

inositol 2-monophosphate Chemical and Physical Properties

Names and Identifiers

    • inositol 2-monophosphate
    • 7336-80-3
    • 1D-myo-inositol 5-phosphate
    • SCHEMBL399281
    • myo-inositol 5-phosphate
    • SCHEMBL7947628
    • [(2R,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
    • C06155
    • myo-inositol 2-phosphate
    • 1D-myo-inositol 2-(dihydrogen phosphate)
    • [(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
    • 1D-myo-inositol 2-phosphate
    • L-myo-Inositol 5-phosphate
    • DTXSID801313434
    • SCHEMBL3472015
    • Inositol 2-phosphate
    • Q27131826
    • D-myo-Inositol 5-phosphate
    • Epitope ID:145015
    • myo-inositol 5-(dihydrogen phosphate)
    • CHEBI:62383
    • Q27104410
    • 6EB27547-4501-498A-88C3-7EF88B25EEF1
    • Inositol-2-phosphate, myo-
    • myo-Inositol, 2-(dihydrogen phosphate)
    • Inositol, 1-(dihydrogen phosphate)
    • SCHEMBL16397863
    • CHEBI:37493
    • myo-Inositol 2-monophosphate
    • (1S,2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
    • Inchi: 1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1?,2-,3+,4+,5-,6?
    • InChI Key: INAPMGSXUVUWAF-UYSNGIAKSA-N
    • SMILES: P(=O)(O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O

Computed Properties

  • Exact Mass: 260.02969
  • Monoisotopic Mass: 260.02971899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 274
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.8
  • Topological Polar Surface Area: 168?2

Experimental Properties

  • PSA: 167.91
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