Basic information
- Standard SMILES
CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@H](CO)NC(=O)OC(C)(C)C- InChIKey
FEESPXHARZVGRE-QFWQFVLDSA-N- Molecular formula
- C25H49NO5
- Average molar mass
- 443.7 g/mol
- Monoisotopic mass
- 443.36107366
Names & identifiers
- Preferred name
- tert-Butyl-(2S,3R,4E)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl-carbamate
- IUPAC
- tert-butyl N-[(E,2S,3R)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl]carbamate
Names & synonyms
SCHEMBL12451647FEESPXHARZVGRE-QFWQFVLDSA-Ntert-Butyl-(2S,3R,4E)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl-carbamate
Database identifiers
- PubChem CID
- 44551220
- Nikkaji
- J2.791.336I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 21
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
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