| CAS Number | 90989-93-8 |
| Catalog Number | AG01EN2Y(AGN-PC-03E5AB) |
| Chemical Name | Cephalin |
| EC Number | 292-752-3 |
| IUPAC Name | [2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate |
| InChI | InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14) |
| InChI Key | CFWRDBDJAOHXSH-UHFFFAOYSA-N |
| MDL Number | MFCD02265857 |
| Molecular Formula | C9H18NO8P |
| Molecular Weight | 299.2149 |
| SMILES | NCCOP(=O)(OCC(OC(=O)C)COC(=O)C)O |
| Synonyms | 90989-93-8,
L-ALPHA-CEPHALIN,
SCHEMBL4572659,
PE 4:0,
FT-0613412,
2-aminoethoxy(2,3-bis(acetyloxy)propoxy)phosphinic acid,
[2-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropyl] acetate,
Cephalins, brain,
3-SN-PHOSPHATIDYLETHANOLAMINE,
EINECS 292-752-3,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.216g/mol |
| Monoisotopic Mass | 299.077g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.4 |
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