D-myo-Inositol, 3,4,5-tris(dihydrogen phosphate) 1-[(2R)-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl hydrogen phosphate], Sodium salt (1:4), 98%

cas: 799812-70-7 — see every product listed under this CAS number, including other names

D-myo-Inositol, 3,4,5-tris(dihydrogen phosphate) 1-[(2R)-2-[[12-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxododecyl]oxy]-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl hydrogen phosphate], Sodium salt (1:4), 98% (CAS 799812-70-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberACJAPS841
cas799812-70-7
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purity98%
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Sodium [(2R)-2-[12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoyloxy]-3-[[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxycyclohexyl]oxy-hydroxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate (CAS 799812-70-7) is a chemical compound with the molecular formula C49H91N3NaO24P4S+ and a molecular weight of 1285.2 g/mol. IUPAC name: sodium [(2R)-2-[12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoyloxy]-3-[[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxycyclohexyl]oxy-hydroxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate. InChIKey: XWAKLYTXDCWHKC-SCKFUUONSA-N.

Identity
Molecular formulaC49H91N3NaO24P4S+
Molecular weight1285.2 g/mol
IUPAC namesodium [(2R)-2-[12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoyloxy]-3-[[(2S,3S,5R,6S)-2,6-dihydroxy-3,4,5-triphosphonooxycyclohexyl]oxy-hydroxyphosphoryl]oxypropyl] (Z)-octadec-9-enoate
InChIKeyXWAKLYTXDCWHKC-SCKFUUONSA-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)CCCCCCCCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3.[Na+]

Computed by PubChem (NCBI)

Also listed as

18:1-12:0 BIOTIN PIP3 Sigma-Aldrich CAS 799812-70-7
18:1-12:0 Biotin PIP3 (tetrasodium) MedChemExpress CAS 799812-70-7