| Drug Name |
Phosethanolamine
|
| Synonyms |
Phosphatidylethanolamine; PHOSPHATIDYLETHANOLAMINE; Q27464388; (1s)-2-{[(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl Stearate; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
|
| Structure |
|
 |
|
3D MOL is unavailable
|
2D MOL
|
| #Ro5 Violations (Lipinski): 3 |
Molecular Weight (mw) |
720 |
|
| Logarithm of the Partition Coefficient (xlogp) |
11.3 |
| Rotatable Bond Count (rotbonds) |
41 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
9 |
| Chemical Identifiers |
- Formula
- C39H78NO8P
- IUPAC Name
[(2S)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadecanoate - Canonical SMILES
-
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN
- InChI
-
RPJZYOHZALDGKI-QNGWXLTQSA-N
- InChIKey
-
1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1
|
| Cross-matching ID |
- PubChem CID
- 16040250
- INTEDE ID
- DR2682
|
|
|
|
|
|
|
|
