AG001VPO

161599-46-8 | Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate

AG001VPO

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CAS Number	161599-46-8
Catalog Number	AG001VPO(AGN-PC-0Q82W4)
Chemical Name	Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate
EC Number	605-260-4
IUPAC Name	[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
InChI	InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
InChI Key	NWJBWNIUGNXJGO-RPULLILYSA-N
MDL Number	MFCD07369302
Molecular Formula	C13H16FN3O6
Molecular Weight	329.2810
SMILES	C[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C(F)=C2)N)=O)O1)OC(C)=O)OC(C)=O
UNII	Q6KTK8KQR2
Synonyms	161599-46-8, 5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine, 2',3'-DI-O-ACETYL-5'-DEOXY-5-FLUOROCYTIDINE, UNII-Q6KTK8KQR2, Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate, Q6KTK8KQR2, 2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine, 2,3-Di-O-Acetyl-5-Deoxy-5-Fuluro-D-Cytidine, 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine, AK-44559, PubChem10352, 2'',3''-Di-O-acetyl-5''-deoxy-5-fuluro-D-cytidine, EC 605-260-4, KSC530S0B, SCHEMBL935809, CYT009, C13H16FN3O6, CTK4D0900, KS-00000KDJ, DTXSID40167207, NWJBWNIUGNXJGO-RPULLILYSA-N, (2R,3R,4R,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate, (2R,3R,4S,5R)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-5-methyltetrahydrofuran-3,4-diyl diacetate, ACT05300, AMX10129, ANW-45300, CD0073, MFCD07369302, ZINC19616026, AKOS015966242, CD-1718, GS-3732, RTR-006893, AJ-74029, AN-12162, CJ-16209, SC-01477, AB0005330, AX8032161, ST24032841, 5'-Deoxy-5-fluoro-cytidine 2',3'-Diacetate, M-9861, 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-cytidine, Cytidine,5'-deoxy-5-fluoro-, 2',3'-diacetate, 599D468, W-60381, 2', 3'-Di-O-acetyl-5'-Deoxy-5-Fluoro-D-Cytidine, 2&#39,3&#39-Di-O-acetyl-5&#39-deoxy-5-fluoro-D-cytidine, 1-(2,3-Di-O-acetyl-5-deoxy-beta-D-ribofuranosyl)-4-amino-5-fluoropyrimidin-2(1H)-one, (2r,3r,4r,5r)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-5-methyl-tetrahydrofuran-3,4-diyl diacetate, (2R,3R,4R,5R)-4-(acetyloxy)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-2-methyloxolan-3-yl acetate, [(2R,3R,4R,5R)-4-acetoxy-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-2-methyl-tetrahydrofuran-3-yl] acetate, [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate, ACN-001563, CB10603, CID11809635, ,3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine, 2/',3/'-DI-O-Acetyl-5/'-deoxy-5-fluorocytidine, 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine, 99% - 100MG 100mg, [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-2-methyl-oxolan-3-yl] Acetate, Acetic acid 4-acetoxy-5-(4-amino-5-fluoro-2-oxo-2H-pyrimidin-1-yl)-2-methyl-tetrahydro-furan-3-yl ester,

Complexity	605
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	329.102g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	329.284g/mol
Monoisotopic Mass	329.102g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number