β,γ-Methylene ATP

CAS Registry Number®

3469-78-1
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CAS Name

β,γ-Methylene ATP

Molecular Formula

C11H18N5O12P3

Molecular Mass

505.21

Cite this Page

β,γ-Methylene ATP.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3469-78-1 (retrieved 2024-07-02) (CAS RN: 3469-78-1).  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)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChIKey

InChIKey=UFZTZBNSLXELAL-IOSLPCCCSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 5′-Adenylic acid, 5′-anhydride with P,P′-methylenediphosphonic acid
  • 5′-Adenylic acid, monoanhydride with methylenediphosphonic acid
  • 5′-Adenylic acid, monoanhydride with methylenebis[phosphonic acid]
  • 5′-Adenylic acid, anhydride with methylenediphosphonic acid
  • Phosphonic acid, methylenedi-, monoanhydride with 5′-adenylic acid

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Deleted or Replaced CAS Registry Numbers

109880-12-8, 6153-83-9, 34665-50-4, 634928-69-1, 172664-68-5, 911000-51-6