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Substance Name: Bof A1
RN: 103767-48-2
InChIKey: PAHPJMYGNYNQPV-ILJQZKEFSA-N

Molecular Weight

  • 706.636
 
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Names and Synonyms

Name of Substance

  • Bof A1

Synonyms

  • 3-(3-(6-Benzoyloxy-3-cyano-2-pyridyloxycarbonyl)benzoyl)-3'-O-benzyl-2'-deoxy-5-fluorouridine
  • Bof-A1

Systematic Name

  • Benzoic acid, 3-((3-(2-deoxy-3-O-(phenylmethyl)-beta-D-erythro-pentofuranosyl)-5-fluoro-3,6-dihydro-2,6-dioxo-1(2H)-pyrimidinyl)carbonyl)-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester

Registry Numbers

CAS Registry Number

  • 103767-48-2

System Generated Number

  • 0103767482

Structure Descriptors

InChI

1S/C37H27FN4O10/c38-27-19-41(31-17-28(29(20-43)50-31)49-21-22-8-3-1-4-9-22)37(48)42(34(27)45)33(44)24-12-7-13-25(16-24)36(47)52-32-26(18-39)14-15-30(40-32)51-35(46)23-10-5-2-6-11-23/h1-16,19,28-29,31,43H,17,20-21H2/t28-,29+,31+/m0/s1

InChIKey

PAHPJMYGNYNQPV-ILJQZKEFSA-N

Smiles

c1n([C@H]2C[C@@H]([C@H](O2)CO)OCc2ccccc2)c(n(C(c2cccc(c2)C(Oc2nc(ccc2C#N)OC(=O)c2ccccc2)=O)=O)c(c1F)=O)=O