Home > Product Catalog > Product category > Nucleoside > (2'S)-2'-Bromo-2'-deoxy-5'-O-[(4R)-5,5-dimethyl-4-[[[3-(1-methylethoxy)-3-oxopropyl]amino]carbonyl]-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-2'-fluoroadenosine

(2'S)-2'-Bromo-2'-deoxy-5'-O-[(4R)-5,5-dimethyl-4-[[[3-(1-methylethoxy)-3-oxopropyl]amino]carbonyl]-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-2'-fluoroadenosine

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Catalog No. : NC249442

CAS No. : 2040312-41-0

Product Level :

Brand : NewCan Bio

Molecular Formula : C₂₂H₃₁BrFN₆O₉P

Chemical Name : (2'S)-2'-Bromo-2'-deoxy-5'-O-[(4R)-5,5-dimethyl-4-[[[3-(1-methylethoxy)-3-oxopropyl]amino]carbonyl]-2-oxido-1,3,2-dioxaphosphorinan-2-yl]-2'-fluoroadenosine

Molecular Weight : 653.39

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Basic information

Standard English name
Cas No.	2040312-41-0
Alias	isopropyl 3-((4R)-2-(((2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-bromo-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methoxy)-5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinane-4-carboxamido)propanoate
Canonical Smiles	CC1(C)COP(=O)(O[C@H]1C(=O)NCCC(=O)OC(C)C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C23)[C@@](F)(Br)[C@@H]1O
MDL No.
Exact Mass	652.10575
Smiles	O[C@@H]([C@](F)(Br)[C@H](N1C=NC2=C(N=CN=C21)N)O3)[C@H]3COP4(OCC(C)(C)[C@H](C(NCCC(OC(C)C)=O)=O)O4)=O

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Inchi	InChI=1S/C22H31BrFN6O9P/c1-11(2)37-13(31)5-6-26-19(33)16-21(3,4)8-36-40(34,39-16)35-7-12-15(32)22(23,24)20(38-12)30-10-29-14-17(25)27-9-28-18(14)30/h9-12,15-16,20,32H,5-8H2,1-4H3,(H,26,33)(H2,25,27,28)/t12-,15-,16+,20-,22-,40?/m1/s1
InchiKey	PFLOTRPYPUCOMC-RITBYYQESA-N
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