Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate)

CAS Registry Number®

81790-82-1

CAS Name

Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate)

Molecular Formula

C24H24N5O15P3

Molecular Mass

715.39

Cite this Page

Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81790-82-1 (retrieved 2024-11-22) (CAS RN: 81790-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1

InChIKey

InChIKey=AWJJLYZBWRIBCZ-UGTJMOTHSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@H]1OC(=O)C4=CC=C(C(=O)C5=CC=CC=C5)C=C4

Canonical SMILES

O=C(OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC=3C(=NC=NC32)N)C4=CC=C(C=C4)C(=O)C=5C=CC=CC5

Other Names for this Substance

  • Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate)
  • 3′-O-(4-Benzoylbenzoyl)adenosine 5′-triphosphate
  • 4-Benzoylbenzoyl-ATP
  • 3′-O-(4-Benzoylbenzoyl)-ATP
  • 3′-O-(4-benzoylbenzoyl)-ATP

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Deleted or Replaced CAS Registry Numbers

172649-64-8, 212624-10-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration