Basic information
- CAS
315674-01-2- Standard SMILES
[3H]C(CCCCCCCCCCCCC)C([3H])[C@@H](O)[C@@H](N)COP(=O)(O)O- InChIKey
YHEDRJPUIRMZMP-HFZMNMKESA-N- Molecular formula
- C18H40NO5P
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.28085887
Names & identifiers
- Preferred name
- [4,5-3H] dihydro-sphingosine-1-phosphate
- IUPAC
- [(2S,3R)-2-amino-3-hydroxy-4,5-ditritiooctadecyl] dihydrogen phosphate
Names & synonyms
315674-01-2AC1LD8VO[4,5-3H] dihydro-sphingosine-1-phosphateDTXSID10349351Dihydrosphingosine-1-phosphate, D-erythro, [4,5-3H](2S,3R)-2-Amino-3-hydroxy(4,5-~3~H_2_)octadecyl dihydrogen phosphate1,3-Octadecane-4,5-t2-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R)- (9CI)1,3-octadecanediol-[4,5-3H], 2-amino-, 1-(dihydrogen phosphate), (2S,3R)-
Database identifiers
- CAS
315674-01-2- PubChem CID
- 644261
- DTXSID
DTXSID10349351
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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