5-{3-(Dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]propoxy}-5-oxopentanoate
Basic information
- CAS
33605-95-7- Standard SMILES
Cc1ncc(C(CCN(C)C)OC(=O)CCCC(=O)[O-])c(CO)c1O- InChIKey
GZXQESNSHFYYGJ-UHFFFAOYSA-M- Molecular formula
- C17H25N2O6-
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.17126152
Names & identifiers
- Preferred name
- 5-{3-(Dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]propoxy}-5-oxopentanoate
- IUPAC
- 5-[3-(dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propoxy]-5-oxopentanoate
Names & synonyms
33605-95-7DTXSID507848635-{3-(Dimethylamino)-1-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]propoxy}-5-oxopentanoate
Database identifiers
- CAS
33605-95-7- PubChem CID
- 71361111
- DTXSID
DTXSID50784863
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- -1
- Complexity
- 426
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Compound notes
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