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5-Bromouridine

CAT: 0607-BA4294-5000Size: 5 gDry Ice: NoHazardous: No
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CAT#:0607-BA4294-5000Size:5 g
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CAS Number
957-75-5
Form
A solid
Molecular Formula
C9H11BrN2O6
Molecular Weight
323.10
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

5-Bromouridine

5-bromouridine is a uridine having a bromo substituent at the 5-position. It has a role as a mutagen.

CAS Number957-75-5
PubChem CID91494
IUPAC Name5-bromo-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Molecular FormulaC9H11BrN2O6
Molecular Weight323.10
XLogP-1.1
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity414
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Br
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
InChIKey
AGFIRQJZCNVMCW-UAKXSSHOSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromouridine
CAS: 957-75-5
CID: 91494
Formula: C9H11BrN2O6
MW: 323.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight323.10
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass321.98005
Monoisotopic Mass321.98005
Topological Polar Surface Area119 Ų
Heavy Atom Count18
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes