3-O-(3-(N',N'-Dimethylamino)-n-propyl)glucose
Basic information
- CAS
53914-15-1- Standard SMILES
CN(C)CCCO[C@@H]([C@H](O)[C@H](O)CO)[C@@H](O)C=O- InChIKey
VQYDWOOCYBGARZ-LMLFDSFASA-N- Molecular formula
- C11H23NO6
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.15253745
Overview
RN given refers to (D)-isomer; RN for cpd without isomeric designation not available 6/89
Names & identifiers
- Preferred name
- 3-O-(3-(N',N'-Dimethylamino)-n-propyl)glucose
- IUPAC
- (2R,3S,4R,5R)-3-[3-(dimethylamino)propoxy]-2,4,5,6-tetrahydroxyhexanal
- English name
- 3-O-(3-(N',N'-dimethylamino)-n-propyl)glucose
- Molecular formula
- C11H23NO6
- Molecular weight
- 265.3
Names & synonyms
3-O-(3-(N',N'-Dimethylamino)-n-propyl)glucose53914-15-1SM-1211RefChem:95091SM 1211(2R,3S,4R,5R)-3-[3-(dimethylamino)propoxy]-2,4,5,6-tetrahydroxyhexanalSCHEMBL34474027DTXSID509687023-O-[3-(Dimethylamino)propyl]hexose3-O-[3-(dimethylamino)propyl]-D-glucoseD-Glucose, 3-O-(3-(dimethylamino)propyl)-D-Glucose, 3-O-[3-(dimethylamino)propyl]-
Database identifiers
- CAS
53914-15-1- PubChem CID
- 124164
- DTXSID
DTXSID50968702
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 226
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Related reactions
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Compound notes
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