3-(4-(2-((R)-2-amino-3-((R)-2,3-bis(dodecanoyloxy)propylthio)propanamido)ethyl)phenoxy)propylphosphonic acid
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Basic information
- Standard SMILES
CCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCCc1ccc(OCCCP(=O)(O)O)cc1)OC(=O)CCCCCCCCCCC- InChIKey
ACVKJRRCUXJPSI-AMAPPZPBSA-N- Molecular formula
- C41H73N2O9PS
- Average molar mass
- 801.1 g/mol
- Monoisotopic mass
- 800.47744008
Names & identifiers
- Preferred name
- 3-(4-(2-((R)-2-amino-3-((R)-2,3-bis(dodecanoyloxy)propylthio)propanamido)ethyl)phenoxy)propylphosphonic acid
- IUPAC
- 3-[4-[2-[[(2R)-2-amino-3-[(2R)-2,3-di(dodecanoyloxy)propyl]sulfanylpropanoyl]amino]ethyl]phenoxy]propylphosphonic acid
Names & synonyms
SCHEMBL161292ACVKJRRCUXJPSI-AMAPPZPBSA-N3-(4-(2-((R)-2-amino-3-((R)-2,3-bis(dodecanoyloxy)propylthio)propanamido)ethyl)phenoxy)propylphosphonic acid
Database identifiers
- PubChem CID
- 53476432
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 38
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 994
Related reactions
2 records
Compound notes
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