Basic information
- CAS
85562-55-6- Standard SMILES
Nc1ncnc2c1nc(Cl)n2C1CC(O)C(CO)O1- InChIKey
CHQZLVMNWNFWCR-UHFFFAOYSA-N- Molecular formula
- C10H12ClN5O3
- Average molar mass
- 285.69 g/mol
- Monoisotopic mass
- 285.062867
Names & identifiers
- Preferred name
- 5-(6-Amino-8-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
- IUPAC
- 5-(6-amino-8-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
- English name
- 8-CHLORO-2'-DEOXYADENOSINE
- Molecular formula
- C10H12ClN5O3
- Molecular weight
- 285.69
Names & synonyms
NSC3389445-(6-amino-8-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol(2R,3S,5R)-5-(6-amino-8-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-olDTXSID201006120NSC-3389448-Chloro-9-(2-deoxypentofuranosyl)-9H-purin-6-amine8-CL-DADO8-chloro-deoxyadenosine8-CHLORO-2'-DEOXYADENOSINE8-Chloro-2’-deoxyadenosineAdenosine, 8-chloro-2'-deoxy-8-Chloro-2'-deoxy-D-adenosine
Show more names
Uridine, adenylyl-(3′→5′)- (9CI, ACI)
Database identifiers
- CAS
85562-55-6- PubChem CID
- 334289
- DTXSID
DTXSID201006120
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 660 · 660.0±65.0 °C(Predicted)
- Density
- 2.03 · 2.03±0.1 g/cm3(Predicted)
- pka
- 13.65 · 13.65±0.60(Predicted)
Chemistry & industry
Applications
Uses8-Chloro-2'-deoxyadenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].
Suppliers15 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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