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5-Bromoarabinouridine

CAT: 0931-TNU0785-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0785-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3370-69-2
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
5-Bromoarabinouridine is a Halo-nucleoside; Arabino-nucleoside.
Smiles
O[C@@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)NC(=O)C(Br)=C2
Molecular Formula
C9H11BrN2O6
Molecular Weight
323.1
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Bromouracil ribonucleoside
CAS Number3370-69-2
PubChem CID236183
IUPAC Name5-bromo-1-[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)N1C2C(C(C(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)
InChIKey
AGFIRQJZCNVMCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromouracil ribonucleoside
CAS: 3370-69-2
CID: 236183
Formula: C9H11BrN2O6
MW: 323.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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 Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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