AG00HT2S

13389-03-2 | Guanosine, 8-bromo-2'-deoxy-

AG00HT2S

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CAS Number	13389-03-2
Catalog Number	AG00HT2S(AGN-PC-0O14XD)
Chemical Name	Guanosine, 8-bromo-2'-deoxy-
IUPAC Name	2-amino-8-bromo-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI	InChI=1S/C10H12BrN5O4/c11-9-13-6-7(14-10(12)15-8(6)19)16(9)5-1-3(18)4(2-17)20-5/h3-5,17-18H,1-2H2,(H3,12,14,15,19)/t3-,4+,5+/m0/s1
InChI Key	MKDXZFVCXWXGBQ-VPENINKCSA-N
MDL Number	MFCD01630971
Molecular Formula	C10H12BrN5O4
Molecular Weight	346.1374
SMILES	O=C1N=C(NC2=C1N=C(Br)N2[C@@H]3O[C@H](CO)[C@@H](O)C3)N
Synonyms	8-bromo-2'-deoxyguanosine, 8-bromo-2'-deoxyguanosine, 13389-03-2, 8-bromo-2'-dG, 2-Amino-8-bromo-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one, 8-Br-2'-dG, CHEBI:61072, Guanosine, 8-bromo-2'-deoxy-, MFCD01630971, 8-Bromodeoxyguanosine, Epitope ID:151524, 8-Bromo-2?-deoxyguanosine, SCHEMBL657360, CHEMBL3143046, MKDXZFVCXWXGBQ-VPENINKCSA-N, HG1073, ZINC13783890, AKOS024258315, KS-00000Y94, AJ-64400, AK153071, AB0088015, AX8111128, 2-amino-8-bromo-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one, 8-BROMO-2-DEOXYGUANOSINE, NSC105830, CID10947964,

Complexity	449
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	345.007g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
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	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

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

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