3-(9H-6-Aminopurin-9-yl)hexane-1,6-diol
Basic information
- CAS
144175-47-3- Standard SMILES
Nc1ncnc2c1ncn2C(CCO)CCCO- InChIKey
STSMEGMCGIZSCF-UHFFFAOYSA-N- Molecular formula
- C11H17N5O2
- Average molar mass
- 251.29 g/mol
- Monoisotopic mass
- 251.1382248
Names & identifiers
- Preferred name
- 3-(9H-6-Aminopurin-9-yl)hexane-1,6-diol
- IUPAC
- 3-(6-aminopurin-9-yl)hexane-1,6-diol
Names & synonyms
(9H-6-AminoP)-hexane-diol3-(9H-6-Aminopurin-9-yl)hexane-1,6-diol144175-47-31,6-Hexanediol, 3-(6-amino-9H-purin-9-yl)-, (1)-3-(6-aminopurin-9-yl)hexane-1,6-diol3-(6-Amino-9H-purin-9-yl)hexane-1,6-diolSCHEMBL9615986DTXSID70932263
Database identifiers
- CAS
144175-47-3- PubChem CID
- 452860
- DTXSID
DTXSID70932263- Nikkaji
- J394.030F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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