Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-(hydrogen butanedioate)

CAS Registry Number®

74405-42-8
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CAS Name

Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-(hydrogen butanedioate)

Molecular Formula

C42H39N5O9

Molecular Mass

757.79

Cite this Page

Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-(hydrogen butanedioate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=74405-42-8 (retrieved 2024-08-16) (CAS RN: 74405-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H39N5O9/c1-52-31-17-13-29(14-18-31)42(28-11-7-4-8-12-28,30-15-19-32(53-2)20-16-30)54-24-34-33(56-37(50)22-21-36(48)49)23-35(55-34)47-26-45-38-39(43-25-44-40(38)47)46-41(51)27-9-5-3-6-10-27/h3-20,25-26,33-35H,21-24H2,1-2H3,(H,48,49)(H,43,44,46,51)/t33-,34+,35+/m0/s1

InChIKey

InChIKey=WYSOXXMLUVYPGV-BMPTZRATSA-N

SMILES

C(OC[C@@H]1[C@@H](OC(CCC(O)=O)=O)C[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C7=CC=CC=C7

Canonical SMILES

O=C(O)CCC(=O)OC1CC(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=NC=6C(=NC=NC65)NC(=O)C=7C=CC=CC7

Other Names for this Substance

  • Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-(hydrogen butanedioate)