Cas no 21667-10-7 (myo-Inositol,4-(dihydrogen phosphate))

myo-Inositol,4-(dihydrogen phosphate) structure
21667-10-7 structure
Product Name:myo-Inositol,4-(dihydrogen phosphate)
CAS No:21667-10-7
MF:C6H13O9P
MW:260.135783910751
CID:273601
PubChem ID:161368
Update Time:2025-04-19

myo-Inositol,4-(dihydrogen phosphate) Chemical and Physical Properties

Names and Identifiers

    • myo-Inositol,4-(dihydrogen phosphate)
    • I6P
    • 21667-10-7
    • SCHEMBL2508779
    • DTXSID301277483
    • Inositol 4-monophosphate
    • 111901-84-9
    • D-myo-inositol (6)-monophosphate
    • myo-Inositol 6-phosphate
    • D-myo-Inositol, 6-(dihydrogen phosphate)
    • Myoinositol 4-phosphate
    • CHEBI:64838
    • INAPMGSXUVUWAF-WWHKVMGRSA-N
    • D-myo-inositol (6)-phosphate
    • ((2R,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl) dihydrogen phosphate
    • 1D-myo-inositol 6-phosphate
    • DL-myo-Inositol, 4-(dihydrogen phosphate)
    • 1D-myo-inositol 6-(dihydrogen phosphate)
    • (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate
    • SCHEMBL3675513
    • Ins6P
    • Ins(6)P
    • Q27133486
    • 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-WWHKVMGRSA-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
  • XLogP3: -4.8
  • Topological Polar Surface Area: 168?2

Experimental Properties

  • Density: 2.02
  • Boiling Point: 517.4°Cat760mmHg
  • Flash Point: 266.7°C
  • Refractive Index: 1.65

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