AG00C4ZI

20227-41-2 | 9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)adenine

AG00C4ZI

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CAS Number	20227-41-2
Catalog Number	AG00C4ZI(AGN-PC-0QSS5Y)
Chemical Name	9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)adenine
IUPAC Name	(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
InChI	InChI=1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7-,10-/m1/s1
InChI Key	ZGYYPTJWJBEXBC-GQTRHBFLSA-N
MDL Number	MFCD01341847
Molecular Formula	C10H12FN5O3
Molecular Weight	269.2324
SMILES	NC1=NC=NC2=C1N=CN2[C@H]3[C@@H](F)[C@@H]([C@@H](CO)O3)O
Synonyms	20227-41-2, 9-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)adenine, (2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol, arabino-F-Ado, 9-(2'-Deoxy-2'-fluoro-b-D-arabinofuranosyl)adenine, 6-Aminopurine-2'-fluoro-D-2'-deoxyarabineoside, SCHEMBL1389499, CHEMBL2032002, ZINC22805, 2'beta-Fluoro-2'-deoxyadenosine, 2'-Deoxy-2'-fluoroarabinoadenosine, MFCD12911815, AKOS027327937, CA-1707, AX8111786, FT-0771348, 227D412, 9-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine, 9- ADENINE, NSC274941, CID11065470, 6-Amino-purine-2'-fluoro-2'-deoxy arabineoside,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	269.092g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	269.236g/mol
Monoisotopic Mass	269.092g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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