AG0012FE

136834-20-3 | Adenosine, N-benzoyl-2'-deoxy-2'-fluoro-

AG0012FE

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CAS Number	136834-20-3
Catalog Number	AG0012FE(AGN-PC-0O1B8L)
Chemical Name	Adenosine, N-benzoyl-2'-deoxy-2'-fluoro-
IUPAC Name	N-[9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
InChI	InChI=1S/C17H16FN5O4/c18-11-13(25)10(6-24)27-17(11)23-8-21-12-14(19-7-20-15(12)23)22-16(26)9-4-2-1-3-5-9/h1-5,7-8,10-11,13,17,24-25H,6H2,(H,19,20,22,26)/t10-,11-,13-,17-/m1/s1
InChI Key	HLJZTLWDAQVZBU-YAMOITTJSA-N
MDL Number	MFCD22373350
Molecular Formula	C17H16FN5O4
Molecular Weight	373.3384
SMILES	OC[C@@H]1[C@H]([C@@H](F)[C@H](N2C=NC3=C2N=CN=C3NC(C4=CC=CC=C4)=O)O1)O
Synonyms	136834-20-3, N6-BENZOYL-2'-FLUORO-2'-DEOXYADENOSINE, Bz-2'-F-dA, Adenosine, N-benzoyl-2'-deoxy-2'-fluoro-, AK163042, Bz-2-F-dA, N6-Bz-2'-F-dA, SCHEMBL314051, KS-00000SO1, HG1040, MFCD22373350, ZINC36417320, DS-7998, J-700227, N-(9-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)benzamide, HLJZTLWDAQVZBU-YAMOITTJSA-N, CID11760510, N-[9-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide,

Complexity	538
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	373.119g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	373.344g/mol
Monoisotopic Mass	373.119g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	122A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

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

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