1-O-Glucosyl-2-N-(dimethylaminonaphthalene-5-sulfonyl)sphingosine
Basic information
- CAS
82535-65-7- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NS(=O)(=O)c1cccc2c(N(C)C)cccc12- InChIKey
UUSHBMDYLBNCEJ-UHFFFAOYSA-N- Molecular formula
- C36H58N2O9S
- Average molar mass
- 694.9 g/mol
- Monoisotopic mass
- 694.38630261
Overview
used to assay glucocerebrosidase
Names & identifiers
- Preferred name
- 1-O-Glucosyl-2-N-(dimethylaminonaphthalene-5-sulfonyl)sphingosine
- IUPAC
- 5-(dimethylamino)-N-[(E,2R,3S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]naphthalene-1-sulfonamide
- English name
- 1-O-glucosyl-2-N-(dimethylaminonaphthalene-5-sulfonyl)sphingosine
- Molecular formula
- C36H58N2O9S
- Molecular weight
- 694.92
Names & synonyms
1-O-Glucosyl-2-dansylsphingosine82535-65-71-O-Glucosyl-2-N-(dimethylaminonaphthalene-5-sulfonyl)sphingosineRefChem:766985-(dimethylamino)-N-[(E,2R,3S)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]naphthalene-1-sulfonamide1-Naphthalenesulfonamide, 5-(dimethylamino)-N-(1-((beta-D-glucopyranosyloxy)methyl)-2-hydroxy-3-heptadecenyl)-, (S-(R*,S*-(E)))-
Database identifiers
- CAS
82535-65-7- PubChem CID
- 6439620
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 22
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 860.884 · 860.884±75.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.253 · 1.253±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.102 · 9.102±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…