Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2′,3′,5′-triacetate

CAS Registry Number®

163706-52-3
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CAS Name

Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2′,3′,5′-triacetate

Molecular Formula

C21H24F3N5O8S

Molecular Mass

563.50

Cite this Page

Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2′,3′,5′-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=163706-52-3 (retrieved 2024-09-10) (CAS RN: 163706-52-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24F3N5O8S/c1-9(30)26-17-14-18(28-20(27-17)38-6-5-21(22,23)24)29(8-25-14)19-16(36-12(4)33)15(35-11(3)32)13(37-19)7-34-10(2)31/h8,13,15-16,19H,5-7H2,1-4H3,(H,26,27,28,30)/t13-,15-,16-,19-/m1/s1

InChIKey

InChIKey=VTLARMXNHDPRLY-NVQRDWNXSA-N

SMILES

O(C(C)=O)[C@H]1[C@@H](O[C@H](COC(C)=O)[C@H]1OC(C)=O)N2C=3C(N=C2)=C(NC(C)=O)N=C(SCCC(F)(F)F)N3

Canonical SMILES

O=C(OCC1OC(N2C=NC=3C(=NC(=NC32)SCCC(F)(F)F)NC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • Adenosine, N-acetyl-2-[(3,3,3-trifluoropropyl)thio]-, 2′,3′,5′-triacetate