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CHEBI:44511 - OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER

Default Structure
ChEBI IDCHEBI:44511
ChEBI NameOCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER
Stars
DownloadsMolfile
FormulaC29H59N2O7P
Net Charge0
Average Mass578.772
Monoisotopic Mass578.40599
SMILES[H]O[P@](=O)(OC([H])([H])[C@]([H])(OC(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])OC(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChIInChI=1S/C29H59N2O7P/c1-4-7-10-13-16-19-22-30-28(32)36-25-27(38-29(33)31-23-20-17-14-11-8-5-2)26-37-39(34,35)24-21-18-15-12-9-6-3/h27H,4-26H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t27-/m1/s1
InChIKeyQRWKUAOYWKHOGP-HHHXNRCGSA-N
ChEBI Ontology
Outgoing Relation(s)
OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER (CHEBI:44511) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-2,3-bis[(octylcarbamoyl)oxy]propyl hydrogen (S)-octylphosphonatePDBeChem
OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTERPDBeChem
Manual XrefsDatabases
OCPPDBeChem