Basic information
- CAS
79854-83-4- Standard SMILES
CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ncnc21- InChIKey
IOSAAWHGJUZBOG-GHMZBOCLSA-N- Molecular formula
- C14H23N5O
- Average molar mass
- 277.37 g/mol
- Monoisotopic mass
- 277.19026037
Names & identifiers
- Preferred name
- (+)-Threo-9-(2-hydroxy-3-nonyl)adenine
- IUPAC
- (2R,3R)-3-(6-aminopurin-9-yl)nonan-2-ol
- English name
- (R,(R*,R*))-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol
- Molecular weight
- 0
Names & synonyms
79854-83-4(+)-Threo-9-(2-hydroxy-3-nonyl)adenineDTXSID402299309H-Purine-9-ethanol, 6-amino-beta-hexyl-alpha-methyl-, (R,(R*,R*))-(R,(R*,R*))-6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanolRefChem:203660DTXCID90152421CHEMBL2114367(2r,3r)-3-(6-amino-9h-purin-9-yl)nonan-2-olBDBM50404652
Database identifiers
- CAS
79854-83-4- PubChem CID
- 149792
- DTXSID
DTXSID40229930- ChEMBL
CHEMBL2114367- Nikkaji
- J350.425E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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