azanium;[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphate
Basic information
- CAS
799812-62-7- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])O)NC(=O)CCCCCCCCCCC.[NH4+]- InChIKey
BZXZJNUBNUWPEQ-GMVBIGKRSA-N- Molecular formula
- C30H63N2O6P
- Average molar mass
- 578.8 g/mol
- Monoisotopic mass
- 578.44237473
Names & identifiers
- Preferred name
- azanium;[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphate
- IUPAC
- azanium [(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphate
- English name
- N-lauroyl-ceraMide-1-phosphate (aMMoniuM salt)
- Molecular formula
- C30H63N2O6P
- Molecular weight
- 578.82
Names & synonyms
799812-62-7C12 Ceramide-1-Phosphate (d18:1/12:0)azanium;[(E,2S,3R)-2-(dodecanoylamino)-3-hydroxyoctadec-4-enyl] hydrogen phosphateN-lauroyl-ceramide-1-Phosphate (ammonium salt)AC1NR2LPDTXSID80415279BP-42417Ammonium (2S,3R,4E)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl hydrogen phosphateC12 Ceramide-1-Phosphate (d18:1/12:0), N-lauroyl-ceramide-1-phosphate (ammonium salt), powder
Database identifiers
- CAS
799812-62-7- PubChem CID
- 5283579
- DTXSID
DTXSID80415279
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 28
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- powder
- InChIKey
- BZXZJNUBNUWPEQ-GMVBIGKRSA-N
- SMILES
- [H][C@](/C=C/CCCCCCCCCCCCC)(O)[C@@]([H])(NC(CCCCCCCCCCC)=O)COP([O-])(O)=O.[NH4+]
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
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Compound notes
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