((11S,14R,18R)-14-amino-18-(dodecyloxy)-11-methyl-13-oxo-3,6,9,20-tetraoxa-16-thia-12-azadotriacontyl)phosphonic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCCCCCCCCCOC[C@H](CSC[C@H](N)C(=O)N[C@@H](C)COCCOCCOCCP(=O)(O)O)OCCCCCCCCCCCC- InChIKey
DHQKMMJKNTURFZ-VYSOZWTASA-N- Molecular formula
- C39H81N2O9PS
- Average molar mass
- 785.1 g/mol
- Monoisotopic mass
- 784.54004034
Names & identifiers
- Preferred name
- ((11S,14R,18R)-14-amino-18-(dodecyloxy)-11-methyl-13-oxo-3,6,9,20-tetraoxa-16-thia-12-azadotriacontyl)phosphonic acid
- IUPAC
- 2-[2-[2-[(2S)-2-[[(2R)-2-amino-3-[(2R)-2,3-didodecoxypropyl]sulfanylpropanoyl]amino]propoxy]ethoxy]ethoxy]ethylphosphonic acid
Names & synonyms
SCHEMBL10310929DHQKMMJKNTURFZ-VYSOZWTASA-N((11S,14R,18R)-14-amino-18-(dodecyloxy)-11-methyl-13-oxo-3,6,9,20-tetraoxa-16-thia-12-azadotriacontyl)phosphonic acid
Database identifiers
- PubChem CID
- 53476780
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 42
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 812
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…