AG001M2V

14985-44-5 | Adenosine, 8-bromo-2'-deoxy-

AG001M2V

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CAS Number	14985-44-5
Catalog Number	AG001M2V(AGN-PC-0O40FI)
Chemical Name	Adenosine, 8-bromo-2'-deoxy-
IUPAC Name	(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI	InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1
InChI Key	NJBIVXMQFIQOGE-KVQBGUIXSA-N
MDL Number	MFCD01630970
Molecular Formula	C10H12BrN5O3
Molecular Weight	330.1380
SMILES	O[C@@H]1[C@@H](CO)O[C@@H](N2C(Br)=NC3=C(N)N=CN=C23)C1
Synonyms	2'-deoxy-8-bromoadenosine, 8-B-2-DA, 8-bromo-2'-deoxyadenosine, 8-Bromo-2'-deoxyadenosine, 14985-44-5, (2R,3S,5R)-5-(6-Amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol, Adenosine, 8-bromo-2'-deoxy-, MFCD01630970, Adenosine,8-bromo-2'-deoxy-, 2'-Deoxy-8-bromoadenosine, NJBIVXMQFIQOGE-KVQBGUIXSA-N, 8-B-2-DA, NSC 79220, 8-Bromo-2?-deoxyadenosine, AC1L3WP0, AC1Q52XQ, SCHEMBL440599, AC1Q270W, CTK8D9622, ZINC4277113, 8-BROMO-2''-DEOXYADENOSINE, HG1031, AKOS024258314, KS-00000Y95, AJ-50053, AK153070, AB0088004, AX8111127, ST24034038, (2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, (2R,3S,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol, 5-(6-AMINO-8-BROMO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL, 8-BROMO-2''-DEOXYADENOSINE, HPLC PURIFIED, 98% PURE WITH HPLC UV CHROMATOGRAM, C10H12BrN5O3, 8-BROMO-2-DEOXYADENOSINE, C10-H12-Br-N5-O3, CID96547, NSC79220, AR-1H4407, 15223-20-8, 5-(6-amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol,

Complexity	338
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	329.012g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	330.142g/mol
Monoisotopic Mass	329.012g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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