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Substance Name: 3'-Adenylic acid, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 2-chlorophenyl 2-cyanoethyl ester
RN: 80817-34-1
InChIKey: ULFYTVWLHYZHGQ-WISCXJJFSA-N

Molecular Formula

  • C47-H42-Cl-N6-O9-P

Molecular Weight

  • 901.3088
 
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Names and Synonyms

Synonym

  • EINECS 279-562-6

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80817-34-1

System Generated Number

  • 0080817341

Structure Descriptors

InChI

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

InChIKey

ULFYTVWLHYZHGQ-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)Oc8ccccc8Cl