α,β-Methylene-ATP

CAS Registry Number®

7292-42-4

CAS Name

α,β-Methylene-ATP

Molecular Formula

C11H18N5O12P3

Molecular Mass

505.21

Cite this Page

α,β-Methylene-ATP.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7292-42-4 (retrieved 2024-11-22) (CAS RN: 7292-42-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1

InChIKey

InChIKey=CAWZRIXWFRFUQB-IOSLPCCCSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(CP(OP(=O)(O)O)(=O)O)(=O)O)[C@H]1O

Canonical SMILES

O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O

Other Names for this Substance

  • Adenosine, 5′-[hydrogen [[hydroxy(phosphonooxy)phosphinyl]methyl]phosphonate]
  • Adenosine, 5′-(trihydrogen methylenediphosphonate), monoanhydride with phosphoric acid
  • Adenosine, 5′-methylenediphosphonate, anhydride with H3PO4
  • Adenosine 5′-methylenediphosphono-P2-phosphate
  • ATP, α,β-methylene-

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Deleted or Replaced CAS Registry Numbers

55916-39-7, 172664-67-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration