9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1)

CAS Registry Number®

384835-53-4
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CAS Name

9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1)

Molecular Formula

C51H92N3O10PS.Na

Cite this Page

9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=384835-53-4 (retrieved 2024-09-10) (CAS RN: 384835-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C51H92N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-48(56)61-41-44(64-49(57)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-63-65(59,60)62-40-39-52-47(55)36-34-33-35-46-50-45(43-66-46)53-51(58)54-50;/h17-20,44-46,50H,3-16,21-43H2,1-2H3,(H,52,55)(H,59,60)(H2,53,54,58);/b19-17-,20-18-;/t44-,45+,46+,50+;/m1./s1

InChIKey

InChIKey=BQZBJHZLJJOUSL-AOAFAMOJSA-N

SMILES

C(CCCC(NCCOP(OC[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)(=O)O)=O)[C@H]1[C@@]2([C@](CS1)(NC(=O)N2)[H])[H].[Na]

Canonical SMILES

[Na].O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCNC(=O)CCCCC1SCC2NC(=O)NC12)CCCCCCCC=CCCCCCCCC

Other Names for this Substance

  • 9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, sodium salt (1:1)
  • 9-Octadecenoic acid (9Z)-, (1R)-1-[12-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphadodec-1-yl]-1,2-ethanediyl ester, monosodium salt
  • DOPE-biotin

Deleted or Replaced CAS Registry Numbers

914459-96-4