Cas no 124501-87-7 (6-Deoxyinositol 1,4,5-triphosphate)

6-Deoxyinositol 1,4,5-triphosphate structure
124501-87-7 structure
Product Name:6-Deoxyinositol 1,4,5-triphosphate
CAS No:124501-87-7
MF:C6H15O14P3
MW:404.096185922623
CID:896586
Update Time:2023-08-02

6-Deoxyinositol 1,4,5-triphosphate Chemical and Physical Properties

Names and Identifiers

    • 6-deoxyinositol 1,4,5-triphosphate
    • (1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]
    • 6-Deoxy-D-myoinositol 1,4,5-triphosphate
    • 6-Deoxy-ins(1,4,5)P3
    • D-6-Deoxy-myo-inositol 1,4,5-triphosphate
    • DL-myo-Inositol, 2-deoxy-, 1,4,5-tris(dihydrogen phosphate)
    • BDBM50323710
    • 3,6-Dihydroxycyclohexane-1,2,4-triyl tris[dihydrogen (phosphate)]
    • (1R,2R,3S,4R,6S)-3,6-dihydroxycyclohexane-1,2,4-triyl triphosphate
    • 6-Deoxyinositol 1,4,5-triphosphate
    • Inchi： 1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)4(8)6(20-23(15,16)17)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/t2-,3+,4-,5+,6+/m0/s1
    • InChI Key： GHYKQXTYUPPQMF-DSOBHZJASA-N
    • SMILES： P(=O)(O)(O)O[C@@H]1[C@H]([C@@H](C[C@@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 545
  • Topological Polar Surface Area: 241

6-Deoxyinositol 1,4,5-triphosphate Related Literature

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