AG00I7VO

4016-63-1 | Guanosine, 8-bromo-

AG00I7VO

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CAS Number	4016-63-1
Catalog Number	AG00I7VO(AGN-PC-0O9ZDT)
Chemical Name	Guanosine, 8-bromo-
EC Number	223-677-6
IUPAC Name	2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI	InChI=1S/C10H12BrN5O5/c11-9-13-3-6(14-10(12)15-7(3)20)16(9)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H3,12,14,15,20)/t2-,4-,5-,8-/m1/s1
InChI Key	ASUCSHXLTWZYBA-UMMCILCDSA-N
MDL Number	MFCD00150531
Molecular Formula	C10H12BrN5O5
Molecular Weight	362.1368
SMILES	Brc1n(c2c(n1)c(=O)nc([nH]2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Synonyms	8-bromoguanosine, 8-Bromoguanosine, 4016-63-1, 8-Bromo-guanosine, Guanosine, 8-bromo-, 2-amino-8-bromo-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one, 8 BrGuo, MFCD00037985, NSC 79211, NSC 174257, 8-bromo guanosine, C10H12BrN5O5, 8-bro-moguanosine, 2-amino-8-bromo-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,9-dihydro-6H-purin-6-one, EINECS 223-677-6, PubChem12690, AC1L3P8A, AC1Q6MU6, SCHEMBL56018, KSC238K2T, Jsp006946, CHEMBL3246762, CTK1D8529, ASUCSHXLTWZYBA-UMMCILCDSA-N, ZINC3881603, ANW-72536, HG1301, AKOS015955615, CS-W020382, MCULE-5467516124, AJ-46641, AS-19159, BC003688, CJ-11091, SC-24146, AB0031730, DB-049543, FT-0621515, ST24039966, X4912, K-8590, X-3105, J-700340, (2R,3R,4S,5R)-2-(2-amino-8-bromo-6-hydroxy-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 2-amino-8-bromo-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one, 2-amino-8-bromo-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3H-purin-6(9H)-one, 2-Amino-8-bromo-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1,9-dihydro-purin-6-one, 2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one, 2-amino-8-bromo-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one, BG2, C10-H12-Br-N5-O5, CID92977, 8-Bromoguanosine, 98% - 1G 1g, AR-1H4434, CB10954, 42388-81-8,

Complexity	479
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	361.002g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	362.14g/mol
Monoisotopic Mass	361.002g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	155A^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

Certificate of Analysis

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