Cas no 15421-51-9 (D-myo-Inositol,1-(dihydrogen phosphate))

D-myo-Inositol,1-(dihydrogen phosphate) structure
15421-51-9 structure
Product Name:D-myo-Inositol,1-(dihydrogen phosphate)
CAS No:15421-51-9
MF:C6H13O9P
MW:260.135783910751
CID:181038
PubChem ID:107737
Update Time:2025-04-19

D-myo-Inositol,1-(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • D-myo-Inositol,1-(dihydrogen phosphate)
    • [(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
    • [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid
    • (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
    • (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
    • (2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
    • inositol 1-phosphate
    • Inositol phosphate
    • Inositol 1-monophosphate
    • myo-Inositol, 1-(dihydrogen phosphate)
    • Epitope ID:144997
    • D-myo-Inositol 1-dihydrogenphosphate
    • (+/-)-MYO-INOSITOL-1-PHOSPHATE
    • myo-inositol 1-phosphate
    • SCHEMBL235876
    • [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
    • 5G9I890092
    • Ins(1)P
    • Q27078074
    • D-myo-Inositol, 1-(dihydrogen phosphate)
    • INOSITOL MONOPHOSPHATE [MI]
    • Myoinositol 3-phosphate
    • 15421-51-9
    • myo-Inositol-1-phosphate
    • GTPL5203
    • 1-(dihydrogen phosphate) DL-myo-Inositol
    • D-Myo-Inositol-1-Phosphate
    • SCHEMBL1027166
    • Ins1P
    • 2831-74-5
    • 573-35-3
    • 1D-myo-Inositol 1-monophosphate
    • D-myo-Inositol 1-phosphate
    • UNII-5G9I890092
    • CHEBI:18297
    • NS00122270
    • Myoinositol 1-phosphate
    • BDBM50191323
    • CHEMBL3959608
    • myo-inositol 1-monophosphate
    • DTXSID001315105
    • I1P
    • INOSITOL MONOPHOSPHATE
    • DL-myo-Inositol 1-phosphate
    • 1D-myo-inositol 1-phosphate
    • D-myo-Inositol, 3-(dihydrogen phosphate)
    • C01177
    • 1-(dihydrogen phosphate) myo-Inositol
    • 1,2,3,4,5,6-cyclohexanehexol, 1-(dihydrogen phosphate), (1alpha,2alpha,3alpha,4beta,5alpha,6beta)-
    • (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
    • L-myo-Inositol 1-phosphate
    • 1D-myo-inositol 4-phosphate
    • 1D-myo-Inositol 3-phosphate
    • 1D-myo-inositol 4-phosphate dianion
    • Inositol 3-phosphate
    • 1D-myo-Inositol 4-monophosphate
    • 1L-myo-Inositol 1-phosphate
    • (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
    • D-myo-Inositol 4-phosphate
    • 1D-myo-inositol 1-phosphate(2-)
    • 1D-myo-inositol 3-phosphate(2-)
    • 1D-myo-inositol 1-phosphate dianion
    • 1D-myo-Inositol 3-monophosphate
    • 1L-myo-inositol 1-phosphate(2-)
    • D-myo-Inositol 3-phosphate
    • D-myo-Inositol 3-monophosphate
    • 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?/m1/s1
    • InChI Key： INAPMGSXUVUWAF-GCVPSNMTSA-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: 260.03
  • Monoisotopic Mass: 260.03
  • 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
  • Topological Polar Surface Area: 168A^2
  • XLogP3: -4.8

Experimental Properties

  • Density: 2.027g/cm3
  • Boiling Point: 517.442oC at 760 mmHg
  • Flash Point: 266.74oC
  • Refractive Index: 1.651

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