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Compound
2-(Icosa-5,8,11,14,17-pentaenoylamino)ethoxy-oxido-oxophosphanium
HCID
178442882
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Basic information
Standard SMILES
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCOP(=O)=O
InChIKey
CBTGAHLXCYTDRE-UHFFFAOYSA-N
Molecular formula
C22H34NO4P
Average molar mass
407.5 g/mol
Monoisotopic mass
407.22254556
Names & identifiers
Preferred name
2-(Icosa-5,8,11,14,17-pentaenoylamino)ethoxy-oxido-oxophosphanium
IUPAC
2-(icosa-5,8,11,14,17-pentaenoylamino)ethoxy-oxido-oxophosphanium
Names & synonyms
SCHEMBL7217574
Database identifiers
PubChem CID
173248034
Properties
Computed structural properties
XLogP
4.2
Topological polar surface area
78.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
16
Heavy atoms
28
Formal charge
0
Complexity
545
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As solvent
HRID
213050
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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