Products 799268-57-8

CAS 799268-57-8 appears in our catalog under these names: D-myo-Inositol, 1-[(2R)-2,3-bis[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl hydrogen phosphate] 3,4,5-tris(dihydrogen phosphate), ammonium salt (1:3), 95%, 18:1 Pi(3,4,5)P3. Offered by: Chemat Brand, Biosynth, Sigma-Aldrich, MedChemExpress. Available pack sizes: on request, 1mg, 100UG, 500UG, 500 μg, 100 μg.

Structural formula: {0} (CAS {1})

Tetraazanium;[(1S,2S,4S,5R)-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate (CAS 799268-57-8) is a chemical compound with the molecular formula C45H98N4O22P4 and a molecular weight of 1171.2 g/mol. IUPAC name: tetraazanium;[(1S,2S,4S,5R)-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate. InChIKey: CTYBALUTLRWYAN-MDQWHZAPSA-N.

Identity
Molecular formulaC45H98N4O22P4
Molecular weight1171.2 g/mol
IUPAC nametetraazanium;[(1S,2S,4S,5R)-3-[[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate
InChIKeyCTYBALUTLRWYAN-MDQWHZAPSA-N
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[NH4+].[NH4+].[NH4+].[NH4+]

Computed by PubChem (NCBI)