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

CAS Registry Number®

80817-34-1
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CAS Name

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

Molecular Formula

C47H42ClN6O9P

Molecular Mass

901.30

Cite this Page

3′-Adenylic acid, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 2-chlorophenyl 2-cyanoethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80817-34-1 (retrieved 2024-08-29) (CAS RN: 80817-34-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=ULFYTVWLHYZHGQ-WISCXJJFSA-N

SMILES

C(OC[C@@H]1[C@@H](OP(OC2=C(Cl)C=CC=C2)(OCCC#N)=O)C[C@@H](O1)N3C=4C(N=C3)=C(NC(=O)C5=CC=CC=C5)N=CN4)(C6=CC=C(OC)C=C6)(C7=CC=C(OC)C=C7)C8=CC=CC=C8

Canonical SMILES

N#CCCOP(=O)(OC=1C=CC=CC1Cl)OC2CC(OC2COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N6C=NC=7C(=NC=NC76)NC(=O)C=8C=CC=CC8

Other Names for this Substance

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