5′-Thymidylic acid, mono(4-nitrophenyl) ester, monoammonium salt

CAS Registry Number®

83918-61-0
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CAS Name

5′-Thymidylic acid, mono(4-nitrophenyl) ester, monoammonium salt

Molecular Formula

C16H18N3O10P.H3N

Cite this Page

5′-Thymidylic acid, mono(4-nitrophenyl) ester, monoammonium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83918-61-0 (retrieved 2024-07-06) (CAS RN: 83918-61-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H18N3O10P.H3N/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);1H3/t12-,13+,14+;/m0./s1

InChIKey

InChIKey=UHFBCZJBOZBWER-SOIKFHLCSA-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.N

Canonical SMILES

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

Other Names for this Substance

  • 5′-Thymidylic acid, mono(4-nitrophenyl) ester, monoammonium salt