Thymidine, 3′-benzoate

CAS Registry Number®

17331-53-2

CAS Name

Thymidine, 3′-benzoate

Molecular Formula

C17H18N2O6

Molecular Mass

346.33

Cite this Page

Thymidine, 3′-benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17331-53-2 (retrieved 2024-11-24) (CAS RN: 17331-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13+,14+/m0/s1

InChIKey

InChIKey=CZRPYTUJUAJMJJ-BFHYXJOUSA-N

SMILES

O=C1N([C@H]2C[C@H](OC(=O)C3=CC=CC=C3)[C@@H](CO)O2)C=C(C)C(=O)N1

Canonical SMILES

O=C(OC1CC(OC1CO)N2C=C(C(=O)NC2=O)C)C=3C=CC=CC3

Other Names for this Substance

  • Thymidine, 3′-benzoate
  • 3′-O-Benzoylthymidine

CAS INSIGHTSTM
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