2-Chloro-9-pentopyranosyl-9h-purin-6-amine
Basic information
- CAS
16755-02-5- Standard SMILES
Nc1nc(Cl)nc2c1ncn2C1OCC(O)C(O)C1O- InChIKey
DSBXPCZHPGLLES-UHFFFAOYSA-N- Molecular formula
- C10H12ClN5O4
- Average molar mass
- 301.69 g/mol
- Monoisotopic mass
- 301.0577816
Names & identifiers
- Preferred name
- 2-Chloro-9-pentopyranosyl-9h-purin-6-amine
- IUPAC
- 2-(6-amino-2-chloropurin-9-yl)oxane-3,4,5-triol
Names & synonyms
MLS00270358916755-02-52-chloro-9-pentopyranosyl-9h-purin-6-amineNSC101087CHEMBL1875220DTXSID20937349NSC-101087SMR001570306
Database identifiers
- CAS
16755-02-5- PubChem CID
- 265236
- DTXSID
DTXSID20937349- ChEMBL
CHEMBL1875220
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…