Thymidine 5′-(trihydrogen diphosphate), P′-α-D-galactopyranosyl ester

CAS Registry Number®

5817-97-0
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CAS Name

Thymidine 5′-(trihydrogen diphosphate), P′-α-D-galactopyranosyl ester

Molecular Formula

C16H26N2O16P2

Molecular Mass

564.33

Cite this Page

Thymidine 5′-(trihydrogen diphosphate), P′-α-D-galactopyranosyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5817-97-0 (retrieved 2024-09-19) (CAS RN: 5817-97-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11-,12-,13+,15+/m0/s1

InChIKey

InChIKey=YSYKRGRSMLTJNL-OAOVJFGZSA-N

SMILES

O=C1N([C@@H]2O[C@H](COP(OP(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)(=O)O)(=O)O)[C@@H](O)C2)C=C(C)C(=O)N1

Canonical SMILES

O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2

Other Names for this Substance

  • Thymidine 5′-(trihydrogen diphosphate), P′-α-D-galactopyranosyl ester
  • Thymidine 5′-(trihydrogen pyrophosphate), mono-α-D-galactopyranosyl ester
  • dTDP α-D-galactose
  • dTDP-galactose
  • TDPGal

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Deleted or Replaced CAS Registry Numbers

99095-89-3, 99095-91-7, 16886-70-7, 26263-32-1, 664998-87-2