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2-Chloro-3'-deoxyadenosine

CAT: 0931-TNU0984-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0984-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115044-75-2
Target
Others, Nucleoside Antimetabolite/Analog
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
Nucleoside Derivatives - 3'-Deoxy nucleosides, Halo-nucleosides, 2-Modified purine nucleosides; Scaffolds and Templates
Smiles
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(Cl)N3)O[C@H](CO)C1
Molecular Formula
C10H12ClN5O3
Molecular Weight
285.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chloro-3'-deoxyadenosine

do not confuse with 2-chloro-2'-deoxyadenosine which is CLADRIBINE

CAS Number115044-75-2
PubChem CID3034808
IUPAC Name(2R,3R,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12ClN5O3
Molecular Weight285.69
XLogP0.3
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](O[C@H]([C@@H]1O)N2C=NC3=C(N=C(N=C32)Cl)N)CO
InChI
InChI=1S/C10H12ClN5O3/c11-10-14-7(12)6-8(15-10)16(3-13-6)9-5(18)1-4(2-17)19-9/h3-5,9,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,9+/m0/s1
InChIKey
HNSLUZJFGNTTEV-OBXARNEKSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3'-deoxyadenosine
CAS: 115044-75-2
CID: 3034808
Formula: C10H12ClN5O3
MW: 285.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.69
XLogP30.3
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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