AG0030SH

3066-86-2 | Cytidine, 5-bromo-

AG0030SH

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CAS Number	3066-86-2
Catalog Number	AG0030SH(AGN-PC-0O8RNT)
Chemical Name	Cytidine, 5-bromo-
IUPAC Name	4-amino-5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
InChI	InChI=1S/C9H12BrN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
InChI Key	HRDXGYQCVPZEJE-UAKXSSHOSA-N
MDL Number	MFCD00057461
Molecular Formula	C9H12BrN3O5
Molecular Weight	322.1127
SMILES	O=C1N=C(N)C(Br)=CN1[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
Synonyms	5-bromocytidine, 3066-86-2, AK112410, 4-amino-5-bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one, Cytidine, 5-bromo-, C9H12BrN3O5, SCHEMBL114750, CHEMBL217543, CTK8F6770, DTXSID40430887, 3233AB, MFCD00057461, ZINC13542860, AKOS016009470, DS-5637, AJ-64124, AX8103043, DB-008452, CS-0041014, FT-0772184, ST24044542, K-7326, C-44363, J-700331, ZINC04482152, CID9797212,

Complexity	426
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	320.996g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	322.115g/mol
Monoisotopic Mass	320.996g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	129A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

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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