2-Chloro-2',3'-dideoxyadenosine
Basic information
- CAS
114849-58-0- Standard SMILES
Nc1nc(Cl)nc2c1ncn2[C@H]1CC[C@@H](CO)O1- InChIKey
FNLILOONPKMGST-NTSWFWBYSA-N- Molecular formula
- C10H12ClN5O2
- Average molar mass
- 269.69 g/mol
- Monoisotopic mass
- 269.0679523
Names & identifiers
- Preferred name
- 2-Chloro-2',3'-dideoxyadenosine
- IUPAC
- [(2S,5R)-5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
- English name
- 2-chloro-2',3'-dideoxyadenosine
- Molecular formula
- C10H12ClN5O2
- Molecular weight
- 269.69
Names & synonyms
114849-58-02-Chloro-2',3'-dideoxyadenosineAdenosine, 2-chloro-2',3'-dideoxy-RefChem:4704132-CDDA2-CHLORODIDEOXYADENOSINE((2S,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-2-yl)methanol[(2S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)oxolan-2-yl]methanolNSC 619531BRN 6423134[(2S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-2-yl]methanol2-Cl-ddA
Show more names
SCHEMBL172618SCHEMBL30694424DTXSID309215172-Chloro-2',3'-dideoxy-AdenosineDB02103PD008551NS00068693Q27093173
Database identifiers
- CAS
114849-58-0- PubChem CID
- 72194
- DTXSID
DTXSID30921517- Nikkaji
- J390.591H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.7362 · 1.7362 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Water Solubility
- 1.01 g/L · 1.01g/L(25 ºC)
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Compound notes
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