Thymidylyl-(3′→5′)-thymidine
CAS Registry Number®
1969-54-6
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CAS Name
Thymidylyl-(3′→5′)-thymidineMolecular Formula
C20H27N4O12PMolecular Mass
546.42Cite 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 ) (CAS RN: 1969-54-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
4.0 °C
Source(s)
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
