Basic information
- CAS
6036-85-7- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](N)CO- InChIKey
WWUZIQQURGPMPG-NVGHFZOBSA-N- Molecular formula
- C18H37NO2
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.28242942
Names & identifiers
- Preferred name
- Threo-sphingosine, (+)-
- IUPAC
- (E,2R,3R)-2-aminooctadec-4-ene-1,3-diol
Names & synonyms
D-Threo-sphingosineD-Threo-c18-sphingosineThreo-c18-sphingosine6036-85-7Threo-sphingosine, (+)-UNII-4423HD881O4423HD881O4-Octadecene-1,3-diol, 2-amino-, (E)-D-threo-4-Octadecene-1,3-diol, 2-amino-, (2R,3R,4E)-4-Octadecene-1,3-diol, 2-amino-, (R-(R*,R*-(E)))-RefChem:2032931966097-21-1
Show more names
SPH(+)-threo-sphingosineSCHEMBL122799514-Octadecene-1,3-diol,2-amino-,(2R,3R)-4-Octadecene-1,3-diol, 2-amino-, (2R,3R)-Q27258689
Database identifiers
- CAS
6036-85-7- PubChem CID
- 447699
- UNII
- 4423HD881O
- Nikkaji
- J2.270.882A、J465.020D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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