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Substance Name: EINECS 299-477-8
RN: 93891-98-6
InChIKey: WAIVQODAPGUOQF-GPLGMATMSA-N

Molecular Formula

  • C61-H55-Cl-N7-O14-P

Molecular Weight

  • 1176.5675
 
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Names and Synonyms

Results Name

  • EINECS 299-477-8

Synonym

  • EINECS 299-477-8

Systematic Names

  • Adenosine, 5'-O-(bis(4-methoxyphenyl)phenylmethyl)-P-(4-chlorophenyl)thymidylyl-(3'-5')-N-benzoyl-2'-deoxy-, 3'-benzoate
  • P-(4-Chlorophenyl)-5'-O-(4,4'-dimethoxytrityl)thymidylyl-(3'.5')-N-benzoyl-2'-deoxyadenosine 3'-benzoate

Registry Numbers

CAS Registry Number

  • 93891-98-6

System Generated Number

  • 0093891986

Structure Descriptors

InChI

1S/C61H55ClN7O14P/c1-38-33-68(60(73)67-57(38)70)52-32-49(50(79-52)34-77-61(41-17-11-6-12-18-41,42-19-25-45(75-2)26-20-42)43-21-27-46(76-3)28-22-43)83-84(74,82-47-29-23-44(62)24-30-47)78-35-51-48(81-59(72)40-15-9-5-10-16-40)31-53(80-51)69-37-65-54-55(63-36-64-56(54)69)66-58(71)39-13-7-4-8-14-39/h4-30,33,36-37,48-53H,31-32,34-35H2,1-3H3,(H,67,70,73)(H,63,64,66,71)/t48-,49-,50+,51+,52+,53+,84?/m0/s1

InChIKey

WAIVQODAPGUOQF-GPLGMATMSA-N

Smiles

COc1ccc(cc1)C(OC[C@H]2O[C@H](C[C@@H]2OP(=O)(OC[C@H]3O[C@H](C[C@@H]3OC(=O)c4ccccc4)n5cnc6c(NC(=O)c7ccccc7)ncnc56)Oc8ccc(Cl)cc8)N9C=C(C)C(=O)NC9=O)(c%10ccccc%10)c%11ccc(OC)cc%11