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8-Chloro-2'-deoxyadenosine

CAT: 0926-NC03342-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-NC03342-01Size:1 mg
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CAS Number
85562-55-6
Synonyms
8-Chloro-2'-deoxy-adenosine
MDL Number
MFCD04118032
Smiles
C1[C@@H] ([C@H] (O[C@H]1N2C3=NC=NC (=C3N=C2Cl) N) CO) O
Molecular Formula
C10H12ClN5O3
Molecular Weight
285.69 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

8-Chlorodeoxyadenosine

structure in first source

CAS Number85562-55-6
PubChem CID11778706
IUPAC Name(2R,3S,5R)-5-(6-amino-8-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12ClN5O3
Molecular Weight285.69
XLogP0.4
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=C2Cl)N)CO)O
InChI
InChI=1S/C10H12ClN5O3/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
CHQZLVMNWNFWCR-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 8-Chlorodeoxyadenosine
CAS: 85562-55-6
CID: 11778706
Formula: C10H12ClN5O3
MW: 285.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.69
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass285.0628670
Monoisotopic Mass285.0628670
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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