2-Chloro-2'-deoxyadenosine

CAT: 0127-BIMN2008Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIMN2008Size:100 mg

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CAS Number

4291-63-8

Synonyms

9- (2-deoxy-beta-D-ribofuranosyl) -2-chloro-adenine

MDL Number

MFCD00153939

Smiles

Nc1nc(Cl)nc2c1ncn2[C@H]3C[C@H](O)[C@@H](CO)O3

Additionnal Information

Store at 2-8°C

Storage Conditions

Store at 2-8°C

Chemical Information

Cladribine

Cladribine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number	4291-63-8
PubChem CID	20279
IUPAC Name	(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular Formula	C10H12ClN5O3
Molecular Weight	285.69
XLogP	0.8
Topological Polar Surface Area	119
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	338

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O

InChI

InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1

InChIKey

PTOAARAWEBMLNO-KVQBGUIXSA-N

Chemical Structure

2D Structure

CAS: 4291-63-8

CID: 20279

Formula: C10H12ClN5O3

MW: 285.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.69
XLogP3	0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	285.0628670
Monoisotopic Mass	285.0628670
Topological Polar Surface Area	119 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	338
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BID1006-01	2'-Deoxyadenosine
BUP17301-01	2'-Deoxyadenosine
OR1011855-01	5'-Chloro-5'-deoxyadenosine
PC450034-01	2'-Fluoro-2'-deoxyadenosine
BID2034-01	2'-Deoxyadenosine monohydrate
BUP16457	2'-Fluoro-2'-Deoxyadenosine
BIMN2004-01	2'-Amino-2'-deoxyadenosine
BUP17654	2'-Deoxyadenosine monohydrate
BUP19977	2'-Deoxyadenosine monohydrate
OR1027552-01	2'-Deoxyadenosine 5'-monophosphate

Catalog	Name
HY-152334-01	2’-Chloro-2’-deoxyadenosine
295599-01	2-Chloro-2'-deoxyadenosine
TNU0306-01	2'-Chloro-2'-deoxyadenosine
sc-202399	2-Chloro-2′-deoxyadenosine
GTR19273499-01	2-Chloro-2′-deoxyadenosine monophosphate
TNU0984-01	2-Chloro-3'-deoxyadenosine
TNU1099-01	8-Chloro-2'-deoxyadenosine
HY-154520	2-Chloro-3′-deoxyadenosine
HY-154394	2-Chloro-N6-methyl-2’-deoxyadenosine
TNU1084-01	N6-Benzoyl-2'-chloro-2'-deoxyadenosine