Basic information
- CAS
117894-14-1- Standard SMILES
CC(=O)N[C@H]1CN[C@H](CO)[C@H](O)[C@@H]1O- InChIKey
GBRAQQUMMCVTAV-OSMVPFSASA-N- Molecular formula
- C8H16N2O4
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.111007
Names & identifiers
- Preferred name
- N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
- IUPAC
- N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
- English name
- 2-Acetamido-1,5-imino-1,2,5-trideoxy-D-galactitol
- Molecular formula
- C8H16N2O4
- Molecular weight
- 204.22
Names & synonyms
117894-14-1AGalN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamideN-[(3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-acetamide2-Acetamido-1,5-imino-1,2,5-trideoxy-D-galactitolN-((3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)piperidin-3-yl)acetamideN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidyl]acetamideDGJNAcDJN2-Acetamido-1,2-dideoxy-galactonojirimycinSCHEMBL15521172MA34339
Show more names
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamiN-[(3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]acetamideAcetamide, N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-
Acetamide, N-(4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl)-, (3S-(3alpha,4beta,5beta,6beta))-Q274593812-acetamido-1,2-dideoxy-D-galacto-nojirimycin; DGJNAcAcetamide, N-[4,5-dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-, [3S-(3a,4b,5b,6b)]-[3S-(3a,4ss,5ss,6ss)]-N-[4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-acetamide; 2-Acetamido-1,5-imino-1,2,5-trideoxy-D-galactitol; DGJNAc; 2-acetamido-1,2-dideoxy-d-galacto-nojirimycin
Database identifiers
- CAS
117894-14-1- PubChem CID
- 452004
- Nikkaji
- J3.102.091C
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 150 · 150-154 °C
- Boiling point
- 502.5 · 502.5±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- solubility
- soluble in No data available
- pka
- 13.69 · 13.69±0.70(Predicted)
Chemistry & industry
Applications
UsesN-[(3S,4R,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-piperidinyl]-acetamide is a hexosaminidase inhibitor.
Suppliers2 total
BOC Sciences16314854226 · [email protected]
衡阳稼轩生物科技有限公司18684598761
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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