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8-Bromo-2'-deoxyadenosine

CAT: 0024-sc-284827Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-284827Size:50 mg
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CAS Number
14985-44-5

Chemical Information

8-Bromo-2'-deoxyadenosine
CAS Number14985-44-5
PubChem CID96547
IUPAC Name(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12BrN5O3
Molecular Weight330.14
XLogP0.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3N=C2Br)N)CO)O
InChI
InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1
InChIKey
NJBIVXMQFIQOGE-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromo-2'-deoxyadenosine
CAS: 14985-44-5
CID: 96547
Formula: C10H12BrN5O3
MW: 330.14
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.14
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass329.01235
Monoisotopic Mass329.01235
Topological Polar Surface Area119 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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sc-216290A2'-Deoxyadenosine monohydrate

Alternative Products

CatalogName
295423-018-Bromo-2'-deoxyadenosine
1623578-Bromo-2’-deoxyadenosine
B 027-508- Bromo- 2'- deoxyadenosine (8-Br-dAdo)
440036-018-Bromo-N6- (dimethylaminomethylidene) -2’-deoxyadenosine
1623588-Bromo-2’-deoxyadenosine-13C2,15N
HIA906528-Bromo-N6- (dimethylaminomethylidene) -2'-deoxyadenosine
MBS58266682-Bromo-2'-deoxyadenosine
B 069-258- Bromo- 2'- deoxyadenosine- 5'- O- triphosphate (8-Br-dATP)
TNU1099-018-Chloro-2'-deoxyadenosine
439964-018-Azido-2’-deoxyadenosine

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