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2-Bromoadenosine

CAT: 0931-TNU0295-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0295-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146-76-9
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Cell Cycle/Checkpoint, Others
Bioactivity
Nucleoside Derivatives - Halo-nucleosides; 2-Modified purine nucleosides; Scaffolds and Templates; Drugs and Inhibitors; Antimalarial agent
Smiles
NC1=C2C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=NC(Br)=N1
Molecular Formula
C10H12BrN5O4
Molecular Weight
346.14
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Bromoadenosine
CAS Number146-76-9
PubChem CID10831407
IUPAC Name(2R,3R,4S,5R)-2-(6-amino-2-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC10H12BrN5O4
Molecular Weight346.14
XLogP0
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity367
SMILES
C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Br)N
InChI
InChI=1S/C10H12BrN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey
PGHYIISMDPKFKH-UUOKFMHZSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromoadenosine
CAS: 146-76-9
CID: 10831407
Formula: C10H12BrN5O4
MW: 346.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.14
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass345.00727
Monoisotopic Mass345.00727
Topological Polar Surface Area140 Ų
Heavy Atom Count20
Formal Charge0
Complexity367
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

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NB08372-012-Bromoadenosine
BA4313-50008-Bromoadenosine
B 0338- Bromoadenosine
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