Molecular properties
- Formula
- C10H12ClN5O3
- Molar mass
- 285.69 g·mol−1
- Exact mass
- 285.0629 Da
- 7
- PubChem CID
- 20279
Molecule record
(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
C10H12ClN5O3
285.69 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Aromatic ring
Aryl halide
Ether
Primary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-CdA
- 2-Chloro-2'-deoxy-beta-adenosine
- 2-Chloro-2'-deoxyadenosine
- 2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine
- 2-Chlorodeoxyadenosine
- 2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine
- 2-chloro-deoxyadenosine
- 2ClAdo
Show all 24 synonyms
- 4291-63-8
- 47M74X9YT5
- ADENOSINE, 2-CHLORO-2'-DEOXY-
- Chlorodeoxyadenosine
- Cladaribine
- Cladribine
- CldAdo
- DTXSID8022828
- Leustat
- Leustatin
- Litak
- NSC-105014
- RWJ 26251
- cladribina
- cladribinum
- mavenclad
Structure identifiers
- Canonical SMILES
- Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
- Isomeric 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
- PubChem CID
- 20279
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.