2-Azido-1-pivaloyl D-erythro-Sphingosine
Basic information
- CAS
114275-41-1- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)C(C)(C)C)N=[N+]=[N-]- InChIKey
HBQMTKUQTNSGBI-BWMVHVDHSA-N- Molecular formula
- C23H43N3O3
- Average molar mass
- 409.6 g/mol
Names & identifiers
- Preferred name
- 2-Azido-1-pivaloyl D-erythro-Sphingosine
- IUPAC
- [(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enyl] 2,2-dimethylpropanoate
- English name
- 2-Azido-1-pivaloyl-D-erythro-sphingosine
- Molecular formula
- C23H43N3O3
- Molecular weight
- 409.61
Names & synonyms
2-Azido-1-pivaloyl D-erythro-Sphingosine114275-41-1[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enyl] 2,2-dimethylpropanoate2-Azido-1-pivaloyl-D-erythro-sphingosine(2S,3R,4E)-2-AZIDO-1-PIVALOYLOXY-4-OCTADECENE-3-OL[R-[R*,S*-(E)]]-2,2-DiMethyl-propanoic Acid 2-Azido-3-hydroxy-4-octadecenyl Ester
Database identifiers
- CAS
114275-41-1
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- solubility
- Acetone, Dichloromethane, Methanol
- form
- Oil
- color
- Colourless
Chemistry & industry
Applications
UsesA derivative of Sphingosine, a selective inhibitor of protein kinase C activity and phorbol dibutyrate binding in vitro in human platelets; does not inhibit protein kinase A or myosin light chain kina se; inhibits calmodulin-dependent enzymes; natural isomer of sphingosine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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