AG002YG1

2946-39-6 | Adenosine, 8-bromo-

AG002YG1

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CAS Number	2946-39-6
Catalog Number	AG002YG1(AGN-PC-0O8ODT)
Chemical Name	Adenosine, 8-bromo-
EC Number	220-959-0
IUPAC Name	(2R,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI	InChI=1S/C10H12BrN5O4/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,13,14)/t3-,5-,6-,9-/m1/s1
InChI Key	VJUPMOPLUQHMLE-UUOKFMHZSA-N
MDL Number	MFCD00005733
Molecular Formula	C10H12BrN5O4
Molecular Weight	346.1374
SMILES	O[C@H]1[C@H](N2C(Br)=NC3=C(N)N=CN=C23)O[C@H](CO)[C@H]1O
Synonyms	8-bromoadenosine, 8-Bromoadenosine, 2946-39-6, (2R,3R,4S,5R)-2-(6-Amino-8-bromo-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, Bromoadenosine, Adenosine, 8-bromo-, 6-Amino-8-bromopurine riboside, 8-Bromo-adenosine, MFCD00005733, 8-Bromoadenine-9-beta-D-ribofuranoside, CHEBI:2312, CHEMBL1775009, 8-Bromo Adenosine, 8-Bromoadenosine, 98%, (2R,3R,4S,5R)-2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, NSC 79213, (4S,2R,3R,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, C10H12BrN5O4, 8-bromadenosine, EINECS 220-959-0, Adenosine, 8-bromo, 8-Br-Ado, AC1L3WOU, 8-Bromoadenosine, powder, SCHEMBL440925, AC1Q270U, CTK1A2009, VJUPMOPLUQHMLE-UUOKFMHZSA-N, ZINC155675, BDBM50454084, HG1277, SBB002942, Adenosine, 8-bromo- (8CI)(9CI), AKOS001715167, ACN-040841, AM84901, AN-5927, CS-W013911, DS-4670, MCULE-2772084365, AJ-13610, SC-46518, ST057080, ZB006086, AB0031983, DB-047587, TC-168058, FT-0621513, ST24033996, X5238, C11266, SR-01000147759, I14-7159, SR-01000147759-1, (2R,3R,4S,5R)-2-(6-amino-8-bromo-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3R,4S,5R)-2-(6-amino-8-bromo-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydro-3,4-furandiol, GBA, C10-H12-Br-N5-O4, CID96544, 8-Bromoadenosine, 99% - 1G 1g, AR-1H4427, 30280-35-4,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	345.007g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	346.141g/mol
Monoisotopic Mass	345.007g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	140A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number