Hexadecanoic acid, (1R)-1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt

CAS Registry Number®

108321-22-8
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CAS Name

Hexadecanoic acid, (1R)-1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt

Molecular Formula

C53H104NO9P.H3N

Cite this Page

Hexadecanoic acid, (1R)-1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=108321-22-8 (retrieved 2022-05-26) (CAS RN: 108321-22-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H104NO9P.H3N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(55)54-46-47-61-64(58,59)62-49-50(63-53(57)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)48-60-52(56)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2;/h50H,4-49H2,1-3H3,(H,54,55)(H,58,59);1H3/t50-;/m1./s1

InChIKey

InChIKey=CREASFJXMVEMCZ-VDKVIGKMSA-N

SMILES

[C@@H](COP(OCCNC(CCCCCCCCCCCCCCC)=O)(=O)O)(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O.N

Canonical SMILES

O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC.N

Other Names for this Substance

  • Hexadecanoic acid, (1R)-1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt
  • Hexadecanoic acid, 1-(3-hydroxy-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, P-oxide, monoammonium salt, (R)-
  • Hexadecanoic acid, 1-(3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphatricos-1-yl)-1,2-ethanediyl ester, monoammonium salt, (R)-