N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
Basic information
- CAS
101397-87-9- Standard SMILES
CCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO- InChIKey
VHYYJWLKCODCNM-UHFFFAOYSA-N- Molecular formula
- C14H29NO6
- Average molar mass
- 307.38 g/mol
- Monoisotopic mass
- 307.19948764
Names & identifiers
- Preferred name
- N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
- IUPAC
- N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
- English name
- Heptanoyl-N-methyl-glucamide
- Molecular formula
- C14H29NO6
- Molecular weight
- 307.38
Names & synonyms
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide101397-87-9SCHEMBL28526576DTXSID603945181-Deoxy-1-(N-methylheptanamido)hexitolMEGA-7Heptanoyl-N-methyl-glucamideN-HEPTANOYL-N-METHYL-D-GLUCAMINEMEGA-7, N-Heptanoyl-N-methyl-D-glucamineD-Glucitol, 1-deoxy-1-[methyl(1-oxoheptyl)amino]-
Database identifiers
- CAS
101397-87-9- PubChem CID
- 3634985
- DTXSID
DTXSID60394518
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 575.5 · 575.5±50.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.20(Predicted)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…