Basic information
- CAS
132031-17-5- Standard SMILES
CCCCCCCCCCCCCC=CC(O)C(CO)N(C)C- InChIKey
YRXOQXUDKDCXME-UHFFFAOYSA-N- Molecular formula
- C20H41NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.31372955
Names & identifiers
- Preferred name
- 2-(Dimethylamino)octadec-4-ene-1,3-diol
- IUPAC
- 2-(dimethylamino)octadec-4-ene-1,3-diol
- English name
- D-erythro-N,N-Dimethylsphingosine
- Molecular formula
- C20H41NO2
- Molecular weight
- 327.55
Names & synonyms
2-(dimethylamino)octadec-4-ene-1,3-diol132031-17-52-DIMETHYLAMINO-4-OCTADECENE-1,3-DIOL171827-65-9IN1356SCHEMBL121926DTXSID20274423HMS3870E03NS000167784-Octadecene-1,3-diol, 2-(dimethylamino)-
Database identifiers
- CAS
132031-17-5- PubChem CID
- 4285
- DTXSID
DTXSID20274423
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 266
Chemistry & industry
Applications
UsesA general modulator of protein kinases
Suppliers2 total
TORONTO[email protected]
Medical Isotopes[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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