(14R,18R)-14-amino-18-(dodecanoyloxy)-13,21-dioxo-3,6,9,20-tetraoxa-16-thia-12-azadotriacontylphosphonic acid
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Basic information
- Standard SMILES
CCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCCOCCOCCOCCP(=O)(O)O)OC(=O)CCCCCCCCCCC- InChIKey
DWTJRHMDAWIOOS-GPOMZPHUSA-N- Molecular formula
- C38H75N2O11PS
- Average molar mass
- 799 g/mol
Names & identifiers
- Preferred name
- (14R,18R)-14-amino-18-(dodecanoyloxy)-13,21-dioxo-3,6,9,20-tetraoxa-16-thia-12-azadotriacontylphosphonic acid
- IUPAC
- 2-[2-[2-[2-[[(2R)-2-amino-3-[(2R)-2,3-di(dodecanoyloxy)propyl]sulfanylpropanoyl]amino]ethoxy]ethoxy]ethoxy]ethylphosphonic acid
Names & synonyms
SCHEMBL2418455DWTJRHMDAWIOOS-GPOMZPHUSA-N(14R,18R)-14-amino-18-(dodecanoyloxy)-13,21-dioxo-3,6,9,20-tetraoxa-16-thia-12-azadotriacontylphosphonic acid
Database identifiers
- PubChem CID
- 53476434
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 42
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 929
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Related reactions
2 records
Compound notes
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