4-Nitrophenyl hydrogen 5′-thymidylate

CAS Registry Number®

2304-08-7

CAS Name

4-Nitrophenyl hydrogen 5′-thymidylate

Molecular Formula

C16H18N3O10P

Molecular Mass

443.30

Cite this Page

4-Nitrophenyl hydrogen 5′-thymidylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2304-08-7 (retrieved 2024-11-08) (CAS RN: 2304-08-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18N3O10P/c1-9-7-18(16(22)17-15(9)21)14-6-12(20)13(28-14)8-27-30(25,26)29-11-4-2-10(3-5-11)19(23)24/h2-5,7,12-14,20H,6,8H2,1H3,(H,25,26)(H,17,21,22)/t12-,13+,14+/m0/s1

InChIKey

InChIKey=RWOAVOYBVRQNIZ-BFHYXJOUSA-N

SMILES

O=C1N([C@@H]2O[C@H](COP(OC3=CC=C(N(=O)=O)C=C3)(=O)O)[C@@H](O)C2)C=C(C)C(=O)N1

Canonical SMILES

O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OC3=CC=C(C=C3)N(=O)=O)C(O)C2

Other Names for this Substance

  • 5′-Thymidylic acid, mono(4-nitrophenyl) ester
  • 5′-Thymidylic acid, mono(p-nitrophenyl) ester
  • 5′-Thymidylic acid, p-nitrophenyl ester
  • 4-Nitrophenyl hydrogen 5′-thymidylate
  • p-Nitrophenyl thymidine-5′-phosphate

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Deleted or Replaced CAS Registry Numbers

66632-22-2, 86849-20-9, 1258940-11-2

CAS INSIGHTSTM
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