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Substance Name: Ara-cdp-1-S-octadecyl-2-O-palmitoyl-1-thioglycerol
RN: 125592-28-1
InChIKey: FYEYYFNMZBXJPD-YOCDIIJISA-N

Molecular Formula

  • C46-H87-N3-O13-P2-S.2Na

Molecular Weight

  • 1032.21
 
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Names and Synonyms

Name of Substance

  • Ara-cdp-1-S-octadecyl-2-O-palmitoyl-1-thioglycerol

Synonyms

  • 1-beta-Arabinofuranosylcytosine 5'-diphosphate-1-octadecyl-2-O-palmitoyl-1-thioglycerol
  • A-Cdp-optg
  • Ara-cdp-ptba
  • Cytoros

Systematic Name

  • 2(1H)-Pyrimidinone, 4-amino-1-(5-O-(1,3-dihydroxy-6-((1-oxohexadecyl)oxy)-2,4-dioxa-8-thia-1,3-diphosphahexacos-1-yl)-beta-D-arabinofuranosyl)-, P,P'-dioxide, disodium salt

Registry Numbers

CAS Registry Number

  • 125592-28-1

System Generated Number

  • 0125592281

Molecular Formulas

Molecular Formula

  • C46-H87-N3-O13-P2-S.2Na

Molecular Formula Fragments

  • C46-H87-N3-O13-P2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C46H89N3O13P2S.2Na/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35-65-38-39(60-42(50)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)36-58-63(54,55)62-64(56,57)59-37-40-43(51)44(52)45(61-40)49-34-33-41(47)48-46(49)53;;/h33-34,39-40,43-45,51-52,54,56,63-64H,3-32,35-38H2,1-2H3,(H2,47,48,53);;/q-2;2*+1/t39?,40-,43-,44+,45-;;/m1../s1

InChIKey

FYEYYFNMZBXJPD-YOCDIIJISA-N

Smiles

[Na+].[Na+].c1(nc(ccn1[C@H]1[C@@H](O)[C@H](O)[C@H](O1)CO[P@@](O[P@@](OC[C@@H](CSCCCCCCCCCCCCCCCCCC)OC(CCCCCCCCCCCCCCC)=O)([O-])O)([O-])O)N)=O