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Substance Name: 1beta-D-Arabinofuranosylcytosine 5'-diphosphate-L-1,2-dipalmitin
RN: 63357-80-2
InChIKey: ITYHVANGBZMQML-AAUVIOTLSA-N

Molecular Formula

  • C44-H81-N3-O15-P2

Molecular Weight

  • 954.078
 
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Names and Synonyms

Name of Substance

  • 1beta-D-Arabinofuranosylcytosine 5'-diphosphate-L-1,2-dipalmitin

Synonym

  • Ara-cdp-dipalmitin

Systematic Names

  • 2(1H)-Pyrimidinone, 4-amino-1-(5-O-((((2,3-bis((1-oxohexadecyl)oxy)propoxy)hydroxyphosphinyl)oxy)hydroxyphosphinyl)-beta-D-arabinofuranosyl)-
  • 4-Amino-1-(5-O-((((2,3-bis((1-oxohexadecyl)oxy)propoxy)hydroxyphosphinyl)oxy)hydroxyphosphinyl)-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone

Registry Numbers

CAS Registry Number

  • 63357-80-2

System Generated Number

  • 0063357802

Structure Descriptors

InChI

1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36?,37-,41-,42+,43-/m1/s1

InChIKey

ITYHVANGBZMQML-AAUVIOTLSA-N

Smiles

n1c(ccn([C@@H]2O[C@H](CO[P@@](O[P@@](O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)=O)(O)=O)[C@H](O)[C@@H]2O)c1=O)N