Cas no 13004-72-3 (D-myo-inositol 2-monophosphate)

D-myo-inositol 2-monophosphate structure
13004-72-3 structure
Product Name:D-myo-inositol 2-monophosphate
CAS No:13004-72-3
MF:C6H13O9P
MW:260.135783910751
CID:2041205
PubChem ID:9
Update Time:2025-04-21

D-myo-inositol 2-monophosphate Chemical and Physical Properties

Names and Identifiers

    • D-myo-inositol 2-monophosphate
    • D-myo-inositol(2)monophosphate
    • DL-myo-inositol 2-mono(phosphate)
    • inositol-2-monophosphate
    • myo-inositol 2-monophosphate
    • myo-Inositol 2-phosphate
    • myo-inositol 2-phosphate, free acid
    • (2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
    • DL-Myoinositol-1-phosphate 2 CHA
    • 13004-72-3
    • Inositol, 1-(dihydrogen phosphate)
    • [(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphonic acid
    • SCHEMBL113868
    • 573-35-3
    • NS00122271
    • CHEMBL281435
    • DL-Myoinositol-1-phosphate . 2 CHA
    • (2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL)OXYPHOSPHONIC ACID
    • DTXSID30862219
    • [(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphonic acid
    • MI44565
    • Inositol 1-monophosphate
    • DL-myo-Inositol-1-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)
    • InChI Key: INAPMGSXUVUWAF-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(O)OC1C(C(C(C(C1O)O)O)O)O

Computed Properties

  • Exact Mass: 260.02971899g/mol
  • 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: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.8
  • Topological Polar Surface Area: 168?2

D-myo-inositol 2-monophosphate Related Literature

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