AG006AZM

957-75-5 | 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

AG006AZM

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CAS Number	957-75-5
Catalog Number	AG006AZM(AGN-PC-0OO7OL)
Chemical Name	5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
EC Number	213-486-6
IUPAC Name	5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
InChI	InChI=1S/C9H11BrN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1
InChI Key	AGFIRQJZCNVMCW-UAKXSSHOSA-N
MDL Number	MFCD00006528
Molecular Formula	C9H11BrN2O6
Molecular Weight	323.0974
SMILES	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(Br)C(=O)NC1=O
UNII	KEY8PG1BRC
Synonyms	1-D-ribofuranosyl-5-bromouracil-nucleoside, 5-bromouridine, bromouridine, 5-Bromouridine, 957-75-5, Uridine, 5-bromo-, 1-beta-Ribofuranosyl-5-bromo-uracil, bromouridine, C9H11BrN2O6, CHEBI:20553, 5-BROMO-URIDINE, KEY8PG1BRC, UNII-KEY8PG1BRC, EINECS 213-486-6, MFCD00006528, NSC 38296, 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione, BRN 0033664, 5-Bromouracil ribonucleoside, 5-bromo-1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione, BRU, 1-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-bromo-1,3-dihyd ropyrimidine-2,4-dione, 5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione, 5- Br-yuridine, AK-87180, 5-Bromouridine, 98%, Epitope ID:138106, AC1L3M6S, TimTec1_003895, 5-Bromo-uridine (5-BrU), SCHEMBL41201, 5-24-06-00337 (Beilstein Handbook Reference), CHEMBL2206658, CTK8B2764, AGFIRQJZCNVMCW-UAKXSSHOSA-N, HMS1545B01, ZINC1081233, ANW-40745, HG1067, SBB005965, 5-Bromouracil-1-|A-D-ribofuranoside, AKOS015834419, AKOS015907263, AM83946, MCULE-2972277708, NCGC00142488-01, AJ-24920, AN-48159, DS-18294, K730, ST057083, 1-D-ribofuranosyl-5-bromouracil-nucleoside, AB0014355, AX8006761, DB-057605, LS-160803, B0666, FT-0620180, A-8049, 16508-EP2281563A1, 16508-EP2316459A1, 957B755, J-700087, 5-Bromo-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione, 5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione, C9-H11-Br-N2-O6, 5-Bromouridine, 98% - 1G 1g, CID91494, cyclohexen-1-yl-(4-phenylphenyl)methanone,

Complexity	414
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	321.98g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	323.099g/mol
Monoisotopic Mass	321.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

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

Lot Number