Thymidylyl-(3′→5′)-thymidine

CAS Registry Number®

1969-54-6
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CAS Name

Thymidylyl-(3′→5′)-thymidine

Molecular Formula

C20H27N4O12P

Molecular Mass

546.42

Cite this Page

Thymidylyl-(3′→5′)-thymidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1969-54-6 (retrieved 2024-07-25) (CAS RN: 1969-54-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H27N4O12P/c1-9-5-23(19(29)21-17(9)27)15-3-11(26)14(35-15)8-33-37(31,32)36-12-4-16(34-13(12)7-25)24-6-10(2)18(28)22-20(24)30/h5-6,11-16,25-26H,3-4,7-8H2,1-2H3,(H,31,32)(H,21,27,29)(H,22,28,30)/t11-,12-,13+,14+,15+,16+/m0/s1

InChIKey

InChIKey=FCXGCSBZKOHCLB-KPRKPIBOSA-N

SMILES

O=C1N([C@H]2C[C@H](OP(OC[C@H]3O[C@H](C[C@@H]3O)N4C(=O)NC(=O)C(C)=C4)(=O)O)[C@@H](CO)O2)C=C(C)C(=O)N1

Canonical SMILES

O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)C)C(O)C2

Other Names for this Substance

  • Thymidine, thymidylyl-(3′→5′)-
  • 5′-Thymidylic acid, 3′-ester with thymidine
  • Thymidylyl-(3′→5′)-thymidine
  • TpT
  • d(TpT)

Deleted or Replaced CAS Registry Numbers

26466-99-9, 2919137-24-7