AG0085MF

10356-76-0 | 4-Amino-5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one

AG0085MF

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CAS Number	10356-76-0
Catalog Number	AG0085MF(AGN-PC-0NVL6X)
Chemical Name	4-Amino-5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
IUPAC Name	4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI	InChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChI Key	IDYKCXHJJGMAEV-RRKCRQDMSA-N
MDL Number	MFCD00077348
Molecular Formula	C9H12FN3O4
Molecular Weight	245.2077
SMILES	O=C1N=C(N)C(F)=CN1[C@@H]2O[C@H](CO)[C@@H](O)C2
UNII	KUA4693H5W
Synonyms	2'-deoxy-5-fluorocytidine, 5-fluoro-2'-deoxycytidine, 10356-76-0, 2'-Deoxy-5-fluorocytidine, FdCyd, 5-FLUORO-2'-DEOXYCYTIDINE, 5-Fluorodeoxycytidine, 5-Fluoro-2-deoxycytidine, FCdR, UNII-KUA4693H5W, 4-amino-5-fluoro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one, Fluorodeoxycytidine, Cytidine, 2'-deoxy-5-fluoro-, KUA4693H5W, CHEMBL1076257, MFCD00077348, 2'-Deoxy-5-fluorcytidine, 5-Fluor-desoxycytidin [German], Cytidine, 2'-deoxy-5-fluoro-;Cytidine, 2'-deoxy-5-fluoro-, NSC 48006, Ro 5-1090, BRN 0619209, 5-Fluor-desoxycytidin, NSC-48006, 3ipx, AK-45707, AC1LAKE3, 5-Fluoro 2'-deoxycytidine, SCHEMBL8345, 2''-deoxy-5-fluorocytidine, 5-Fluoro-2|A-deoxycytidine, 2'-deoxy-5-fluoro-Cytidine, MLS006010723, Cytidine,2'-deoxy-5-fluoro-, DTXSID2030437, CTK8A9064, BCP18422, 0860AA, ANW-14931, BDBM50311540, CD-881, ZINC17311164, 5-Deoxy-5-fluorocytidine (5-DFCR), AKOS015853117, AKOS016002166, DB12957, SB17172, NCGC00346830-01, AJ-70047, SC-54218, SMR004701686, AX8074298, TL8000154, TR-033435, D3642, ST24023264, 335D384, 2 inverted exclamation marka-deoxy-5-fluoro-Cytidine, 5-Fluoro-2 inverted exclamation marka-deoxycytidine, 5-Fluoro-2'-deoxycytidine, >=98% (HPLC), powder, 4-Amino-5-fluoro-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one, 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one, B86, TETRAHYDROURIDINE, D0D1LS, 5-Fluoro-2/'-deoxycytidine, C9H12FN3O4, C9-H12-F-N3-O4, CID515328, 66335-38-4, 4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidin-2(1H)-one,

Complexity	398
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	245.081g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	245.21g/mol
Monoisotopic Mass	245.081g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	108A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number