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2-Chloro-2'-C-methyladenosine

CAT: 0931-TNU0098-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TNU0098-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
205171-11-5
Target
Nucleoside Antimetabolite/Analog, Others
Related Pathways
DNA Damage/DNA Repair, Others, Cell Cycle/Checkpoint
Bioactivity
2-Chloro-2'-C-methyladenosine is a 2'-C-Methyl nucleoside; Halo-nucleoside.
Smiles
C[C@]1(O)[C@H](N2C=3C(N=C2)=C(N)N=C(Cl)N3)O[C@H](CO)[C@H]1O
Molecular Formula
C11H14ClN5O4
Molecular Weight
315.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R,3R,4R,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol
CAS Number205171-11-5
PubChem CID10686845
IUPAC Name(2R,3R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Molecular FormulaC11H14ClN5O4
Molecular Weight315.71
XLogP0
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity407
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O)O
InChI
InChI=1S/C11H14ClN5O4/c1-11(20)6(19)4(2-18)21-9(11)17-3-14-5-7(13)15-10(12)16-8(5)17/h3-4,6,9,18-20H,2H2,1H3,(H2,13,15,16)/t4-,6-,9-,11-/m1/s1
InChIKey
CKNNSJGYKWRNEN-GITKWUPZSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4R,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol
CAS: 205171-11-5
CID: 10686845
Formula: C11H14ClN5O4
MW: 315.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.71
XLogP30
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass315.0734316
Monoisotopic Mass315.0734316
Topological Polar Surface Area140 Ų
Heavy Atom Count21
Formal Charge0
Complexity407
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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