16:0 PE-DTPA (pentaammonium)

cas: 2260669-36-9 — see every product listed under this CAS number, including other names

16:0 PE-DTPA (pentaammonium) (CAS 2260669-36-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2260669-36-9
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Structural formula: {0} (CAS {1})

Pentaazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl-[2-[2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetate (CAS 2260669-36-9) is a chemical compound with the molecular formula C51H110N9O17P and a molecular weight of 1152.4 g/mol. IUPAC name: pentaazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl-[2-[2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetate. InChIKey: ZFRCVPARWXFDCL-NRADHSLQSA-N.

Identity
Molecular formulaC51H110N9O17P
Molecular weight1152.4 g/mol
IUPAC namepentaazanium;2-[2-[bis(carboxylatomethyl)amino]ethyl-[2-[carboxylatomethyl-[2-[2-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-oxidophosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetate
InChIKeyZFRCVPARWXFDCL-NRADHSLQSA-N
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])OC(=O)CCCCCCCCCCCCCCC.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Computed by PubChem (NCBI)

Synonyms: orb3144389

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