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Substance Name: 5'-Adenylyl (beta,gamma-methylene)diphosphonate
RN: 3469-78-1
InChIKey: UFZTZBNSLXELAL-IOSLPCCCSA-N

Note

  • Do not confuse with alpha,beta-methyleneadenosine 5'-triphosphate.

Molecular Formula

  • C11-H18-N5-O12-P3

Molecular Weight

  • 505.208
 
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Names and Synonyms

Name of Substance

  • 5'-Adenylyl (beta,gamma-methylene)diphosphonate

Synonym

  • EINECS 222-435-7

Systematic Names

  • 5'-Adenylic acid, monohydride with methylenebis(phosphonic acid)
  • Adenosine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid

Registry Numbers

CAS Registry Number

  • 3469-78-1

System Generated Number

  • 0003469781

Structure Descriptors

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

UFZTZBNSLXELAL-IOSLPCCCSA-N

Smiles

P(O)(O)(=O)C[P@@](O[P@@](OC[C@@H]1[C@H]([C@@H](O)[C@@H](n2c3c(c(N)ncn3)nc2)O1)O)(=O)O)(O)=O