Completing data — usually done within a minute
Basic information
- CAS
59277-99-5- Standard SMILES
CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc21- InChIKey
WDWFTRKUESNIEQ-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2N4O3
- Average molar mass
- 305.11 g/mol
- Monoisotopic mass
- 304.01299554
Names & identifiers
- Preferred name
- 2-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetate
- IUPAC
- 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate
Names & synonyms
59277-99-52-((2,6-Dichloro-9H-purin-9-yl)methoxy)ethyl acetateNSC6816922-[(2,6-dichloro-9h-purin-9-yl)methoxy]ethyl acetate2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate2,6-dichloro-9-(2-acetyloxyethoxymethyl)purineCHEMBL38170SCHEMBL11244724DTXSID80207994WDWFTRKUESNIEQ-UHFFFAOYSA-NNSC-681692NCI60_029185
Database identifiers
- CAS
59277-99-5- PubChem CID
- 387666
- DTXSID
DTXSID80207994- ChEMBL
CHEMBL38170- Nikkaji
- J2.346.954E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
5 records
Compound notes
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