AG00E9MP

56632-83-8 | 4-AMINO-1-(2-DEOXY-2-FLUORO-BETA-D-ARABINOFURANOSYL)-2(1H)-PYRIMIDINONE

AG00E9MP

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CAS Number	56632-83-8
Catalog Number	AG00E9MP(AGN-PC-0SM3VN)
Chemical Name	4-AMINO-1-(2-DEOXY-2-FLUORO-BETA-D-ARABINOFURANOSYL)-2(1H)-PYRIMIDINONE
IUPAC Name	4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI	InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m1/s1
InChI Key	NVZFZMCNALTPBY-PXBUCIJWSA-N
MDL Number	MFCD07374399
Molecular Formula	C9H12FN3O4
Molecular Weight	245.2077
SMILES	O=C1N=C(N)C=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F
UNII	688292GL11
Synonyms	56632-83-8, 4-Amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-2(1H)-pyrimidinone, 2'-Fluoro-2'-deoxy-arabinofuranosyl-cytidine, UNII-688292GL11, 688292GL11, 4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one, 4-Amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-pyrimidine-2(1H)-one, 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 4-Amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one, SCHEMBL170263, AC1L467O, CHEMBL484963, 2'deoxy-2'-fluoroarabinocytidine, DTXSID30205208, MFCD07374399, ZINC17174506, 2(1H)-Pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-, CF-1298, RO-8013, AJ-70001, AN-40104, AS-47420, AX8272509, FT-0647914, ST24043182, 632A838, 1-(2'-Deoxy-2'-fluoro-b-D-arabinofuranosyl)cytidine hydrochloride, 4-Amino-1-(2-deoxy-2-fluoro-D-arabinofuranosyl)-2(1H)-pyrimidinone, 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one, 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one, Ancitabin hydrochloride, C9-H12-F-N3-O4, CID151382,

Complexity	386
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
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	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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