2-O-(2-Diethylaminoethyl)carbamoyl-1,3-o-dioleylglycerol
Basic information
- CAS
160005-13-0- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)NCCN(CC)CC- InChIKey
SDFOCMGSQNWWPN-SXAUZNKPSA-N- Molecular formula
- C46H86N2O6
- Average molar mass
- 763.2 g/mol
- Monoisotopic mass
- 762.64858847
Names & identifiers
- Preferred name
- 2-O-(2-Diethylaminoethyl)carbamoyl-1,3-o-dioleylglycerol
- IUPAC
- [2-[2-(diethylamino)ethylcarbamoyloxy]-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Names & synonyms
CLZ-42D8W2W2MZ79UNII-D8W2W2MZ792-O-(2-Diethylaminoethyl)carbamoyl-1,3-o-dioleylglycerol160005-13-09-Octadecenoic acid, 1,1'-(((((2-(diethylamino)ethyl)amino)carbonyl)oxy)-1,3-propanediyl) esterSCHEMBL1402952
Database identifiers
- CAS
160005-13-0- PubChem CID
- 9853631
- UNII
- D8W2W2MZ79
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 43
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 848
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