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3'-Deoxy-4'-C -(difluoromethyl)-3'-fluoro-5'-O -(2-oxido-4H -1,3,2-benzodioxaphosphorin-2-yl)-L-alanine

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Catalog No. : NC16637

CAS No. : 1803134-70-4

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₇H₁₇F₃N₃O₇P

Chemical Name : 3'-Deoxy-4'-C -(difluoromethyl)-3'-fluoro-5'-O -(2-oxido-4H -1,3,2-benzodioxaphosphorin-2-yl)-L-alanine

Molecular Weight : 463.30

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Basic information

Standard English name
Cas No.	1803134-70-4
Alias	4-amino-1-((2S,3R,4R,5S)-5-(difluoromethyl)-4-fluoro-3-hydroxy-5-(((2-oxido-4H-benzo[d][1,3,2]dioxaphosphinin-2-yl)oxy)methyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Canonical Smiles	NC1C=CN([C@H]2O[C@@](COP3(=O)OC4=CC=CC=C4CO3)([C@H](F)[C@@H]2O)C(F)F)C(=O)N=1
MDL No.
Exact Mass	463.07562
Smiles	O[C@@H]1[C@H](O[C@@](C(F)F)(COP2(OC3=CC=CC=C3CO2)=O)[C@@H]1F)N4C(N=C(N)C=C4)=O

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Inchi	InChI=1S/C17H17F3N3O7P/c18-13-12(24)14(23-6-5-11(21)22-16(23)25)29-17(13,15(19)20)8-28-31(26)27-7-9-3-1-2-4-10(9)30-31/h1-6,12-15,24H,7-8H2,(H2,21,22,25)/t12-,13+,14-,17-,31?/m0/s1
InchiKey	WSWLCZOENBZDSM-JFHWTTNBSA-N
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