Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,6-dideoxy-α-D-glucopyranosyl) ester

CAS Registry Number®

214918-41-9
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CAS Name

Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,6-dideoxy-α-D-glucopyranosyl) ester

Molecular Formula

C16H27N3O14P2

Molecular Mass

547.34

Cite this Page

Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,6-dideoxy-α-D-glucopyranosyl) ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=214918-41-9 (retrieved 2024-09-20) (CAS RN: 214918-41-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)11(17)12(21)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)/t7-,8+,9-,10-,11+,12-,13-,15-/m1/s1

InChIKey

InChIKey=KVYJLJOGNUNRJK-HALQBZCBSA-N

SMILES

O=C1N([C@@H]2O[C@H](COP(OP(O[C@@H]3[C@H](O)[C@@H](N)[C@H](O)[C@@H](C)O3)(=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(C)C(O)C(N)C3O)C(O)C2

Other Names for this Substance

  • Thymidine 5′-(trihydrogen diphosphate), P′-(3-amino-3,6-dideoxy-α-D-glucopyranosyl) ester

Deleted or Replaced CAS Registry Numbers

664998-86-1