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5'-O-[(1R)-1-Carboxy-2-[4-(phenylmethoxy)phenyl]-1-(2H-tetrazol-5-yl)ethyl]-2-chloroadenosine

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Catalog No. : NC221957

CAS No. : 2231103-12-9

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₇H₂₆ClN₉O₇

Chemical Name : 5'-O-[(1R)-1-Carboxy-2-[4-(phenylmethoxy)phenyl]-1-(2H-tetrazol-5-yl)ethyl]-2-chloroadenosine

Molecular Weight : 624.00

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Basic information

Standard English name
Cas No.	2231103-12-9
Alias	(R)-2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-3-(4-(benzyloxy)phenyl)-2-(2H-tetrazol-5-yl)propanoic acid
Canonical Smiles	NC1N=C(Cl)N=C2C=1N=CN2[C@@H]1O[C@H](CO[C@](CC2C=CC(=CC=2)OCC2C=CC=CC=2)(C2=NNN=N2)C(O)=O)[C@@H](O)[C@H]1O
MDL No.
Exact Mass	623.16437
Smiles	O[C@@H]([C@H]([C@H](N1C=NC2=C(N=C(Cl)N=C21)N)O3)O)[C@H]3CO[C@](C4=NNN=N4)(C(O)=O)CC5=CC=C(OCC6=CC=CC=C6)C=C5

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Inchi	InChI=1S/C27H26ClN9O7/c28-26-31-21(29)18-22(32-26)37(13-30-18)23-20(39)19(38)17(44-23)12-43-27(25(40)41,24-33-35-36-34-24)10-14-6-8-16(9-7-14)42-11-15-4-2-1-3-5-15/h1-9,13,17,19-20,23,38-39H,10-12H2,(H,40,41)(H2,29,31,32)(H,33,34,35,36)/t17-,19-,20-,23-,27-/m1/s1
InchiKey	DJBKEXWPUPQFHF-BPYAMJGKSA-N
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