Home > Product Catalog > All > 5,5''-[1,3-Butadiyne-1,4-diylbis(4,1-phenylene-2,1-ethynediyl)]bis[5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyuridine]

5,5''-[1,3-Butadiyne-1,4-diylbis(4,1-phenylene-2,1-ethynediyl)]bis[5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyuridine]

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Catalog No. : NC272419

CAS No. : 1817829-81-4

Product Level :

Brand : NewCan Bio

Molecular Formula : C₈₀H₆₆N₄O₁₄

Chemical Name : 5,5''-[1,3-Butadiyne-1,4-diylbis(4,1-phenylene-2,1-ethynediyl)]bis[5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxyuridine]

Molecular Weight : 1,307.40

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Basic information

Standard English name
Cas No.	1817829-81-4
Alias	5,5'-((buta-1,3-diyne-1,4-diylbis(4,1-phenylene))bis(ethyne-2,1-diyl))bis(1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione)
Canonical Smiles	COC1C=CC(=CC=1)C(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C#CC2C=CC(=CC=2)C#CC#CC2C=CC(=CC=2)C#CC2=CN([C@H]3C[C@H](O)[C@@H](COC(C4C=CC=CC=4)(C4C=CC(=CC=4)OC)C4C=CC(=CC=4)OC)O3)C(=O)NC2=O)C(=O)NC1=O)(C1C=CC=CC=1)C1C=CC(=CC=1)OC
MDL No.
Exact Mass	1,306.45756
Smiles	O[C@@H](C[C@H](N1C(NC(C(C#CC2=CC=C(C#CC#CC3=CC=C(C#CC4=CN(C(NC4=O)=O)[C@H](O5)C[C@H](O)[C@H]5COC(C6=CC=C(OC)C=C6)(C7=CC=C(OC)C=C7)C8=CC=CC=C8)C=C3)C=C2)=C1)=O)=O)O9)[C@H]9COC(C%10=CC=C(OC)C=C%10)(C%11=CC=C(OC)C=C%11)C%12=CC=CC=C%12

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Inchi	InChI=1S/C80H66N4O14/c1-91-65-39-31-61(32-40-65)79(59-15-7-5-8-16-59,62-33-41-66(92-2)42-34-62)95-51-71-69(85)47-73(97-71)83-49-57(75(87)81-77(83)89)29-27-55-23-19-53(20-24-55)13-11-12-14-54-21-25-56(26-22-54)28-30-58-50-84(78(90)82-76(58)88)74-48-70(86)72(98-74)52-96-80(60-17-9-6-10-18-60,63-35-43-67(93-3)44-36-63)64-37-45-68(94-4)46-38-64/h5-10,15-26,31-46,49-50,69-74,85-86H,47-48,51-52H2,1-4H3,(H,81,87,89)(H,82,88,90)/t69-,70-,71+,72+,73+,74+/m0/s1
InchiKey	ZNGUOXAKUAHLLY-XVDKJQSNSA-N
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