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Substance Name: 3'-Adenylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester
RN: 57777-86-3
InChIKey: TZDNFAVKRYGJLF-WISCXJJFSA-N

Molecular Formula

  • C47-H42-Cl-N6-O9-P

Molecular Weight

  • 901.3088
 
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Names and Synonyms

Synonym

  • EINECS 260-947-2

Systematic Name

  • 3'-Adenylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 4-chlorophenyl 2-cyanoethyl ester

Registry Numbers

CAS Registry Number

  • 57777-86-3

System Generated Number

  • 0057777863

Structure Descriptors

InChI

1S/C47H42ClN6O9P/c1-57-37-20-14-34(15-21-37)47(33-12-7-4-8-13-33,35-16-22-38(58-2)23-17-35)59-29-41-40(63-64(56,60-27-9-26-49)62-39-24-18-36(48)19-25-39)28-42(61-41)54-31-52-43-44(50-30-51-45(43)54)53-46(55)32-10-5-3-6-11-32/h3-8,10-25,30-31,40-42H,9,27-29H2,1-2H3,(H,50,51,53,55)/t40-,41+,42+,64?/m0/s1

InChIKey

TZDNFAVKRYGJLF-WISCXJJFSA-N

Smiles

COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5ncnc6NC(=O)c7ccccc7)OP(=O)(OCCC#N)Oc8ccc(cc8)Cl