Adenosine, N-benzoyl-2′-deoxy-, 3′-benzoate

CAS Registry Number®

51549-54-3

CAS Name

Adenosine, N-benzoyl-2′-deoxy-, 3′-benzoate

Molecular Formula

C24H21N5O5

Molecular Mass

459.45

Cite this Page

Adenosine, N-benzoyl-2′-deoxy-, 3′-benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51549-54-3 (retrieved 2024-11-22) (CAS RN: 51549-54-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H21N5O5/c30-12-18-17(34-24(32)16-9-5-2-6-10-16)11-19(33-18)29-14-27-20-21(25-13-26-22(20)29)28-23(31)15-7-3-1-4-8-15/h1-10,13-14,17-19,30H,11-12H2,(H,25,26,28,31)/t17-,18+,19+/m0/s1

InChIKey

InChIKey=GRASBJRYLQJMMU-IPMKNSEASA-N

SMILES

N(C(=O)C1=CC=CC=C1)C2=C3C(N(C=N3)[C@H]4C[C@H](OC(=O)C5=CC=CC=C5)[C@@H](CO)O4)=NC=N2

Canonical SMILES

O=C(OC1CC(OC1CO)N2C=NC=3C(=NC=NC32)NC(=O)C=4C=CC=CC4)C=5C=CC=CC5

Other Names for this Substance

  • Adenosine, N-benzoyl-2′-deoxy-, 3′-benzoate
  • N,O3′-Dibenzoyldeoxyadenosine

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