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2'-Deoxy-5-fluoro-2',2'-dimethylcytidine 5'-(tetrahydrogen triphosphate)

Catalog No. : NC244630

CAS No. : 2080445-19-6

Product Level :

Brand : NewCan Bio

Molecular Formula : C₁₁H₁₉FN₃O₁₃P₃

Chemical Name : 2'-Deoxy-5-fluoro-2',2'-dimethylcytidine 5'-(tetrahydrogen triphosphate)

Molecular Weight : 513.20

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Basic information

Standard English name
Cas No.	2080445-19-6
Alias	(((2R,3S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-3-hydroxy-4,4-dimethyltetrahydrofuran-2-yl)methyl)triphosphoric acid
Canonical Smiles	CC1(C)[C@@H](O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@H]1O)N1C=C(F)C(N)=NC1=O
MDL No.
Exact Mass	513.01148
Smiles	O[C@@H](C(C)(C)[C@H](N1C(N=C(C(F)=C1)N)=O)O2)[C@H]2COP(O)(OP(OP(O)(O)=O)(O)=O)=O

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Inchi	InChI=1S/C11H19FN3O13P3/c1-11(2)7(16)6(26-9(11)15-3-5(12)8(13)14-10(15)17)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-7,9,16H,4H2,1-2H3,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t6-,7-,9-/m1/s1
InchiKey	YKGLMQSJGWDWOE-ZXFLCMHBSA-N
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