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Substance Name: Thymidyl 3'-(4-nitrophenyl)phosphorothioate
RN: 76756-12-2
InChIKey: JKVAQNNEAGELID-LQKXLNEJSA-N

Molecular Formula

  • C16-H18-N3-O9-P-S

Molecular Weight

  • 473.397
 
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Names and Synonyms

Name of Substance

  • Thymidyl 3'-(4-nitrophenyl)phosphorothioate

Synonyms

  • 5'-Deoxy-5'-thymidine-3'-(4-nitrophenyl)phosphorothioate
  • TNPPT

Systematic Name

  • Thymidine, 3'-(O-(4-nitrophenyl)hydrogen phosphorothioate), (R)-

Registry Numbers

CAS Registry Number

  • 76756-12-2

System Generated Number

  • 0076756122

Structure Descriptors

InChI

1S/C17H20N3O9PS/c1-10-7-19(17(23)18-16(10)22)15-6-13(14(8-21)28-15)29-30(26,31)27-9-11-2-4-12(5-3-11)20(24)25/h2-5,7,13-15,21H,6,8-9H2,1H3,(H,26,31)(H,18,22,23)/t13-,14+,15+,30?/m0/s1

InChIKey

JKVAQNNEAGELID-LQKXLNEJSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=S)(O)OCc3ccc(cc3)[N+](=O)[O-]