Adenosine, 2-fluoro-, 2′,3′,5′-triacetate

CAS Registry Number®

15811-32-2
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CAS Name

Adenosine, 2-fluoro-, 2′,3′,5′-triacetate

Molecular Formula

C16H18FN5O7

Molecular Mass

411.34

Cite this Page

Adenosine, 2-fluoro-, 2′,3′,5′-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15811-32-2 (retrieved 2024-09-10) (CAS RN: 15811-32-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-212 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C16H18FN5O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(18)20-16(17)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3,(H2,18,20,21)/t9-,11-,12-,15-/m1/s1

InChIKey

InChIKey=LDICZLRLPNWOIS-SDBHATRESA-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(N)N=C(F)N3

Canonical SMILES

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

Other Names for this Substance

  • Adenosine, 2-fluoro-, 2′,3′,5′-triacetate
  • NSC 108853
  • 2′,3′,5′-Tri-O-acetyl-2-fluoroadenosine