alkyl glycerol phosphate 18:1   Click here for help

GtoPdb Ligand ID: 6994

Synonyms: AGP 18.1
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 22
Topological polar surface area 106.03
Molecular weight 424.3
XLogP 6.73
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)O
Isomeric SMILES CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O)O
InChI InChI=1S/C21H45O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-21(22)20-27-28(23,24)25/h21-22H,2-20H2,1H3,(H2,23,24,25)/t21-/m0/s1
InChI Key HUUYDUFSUADEJQ-NRFANRHFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[(2S)-2-hydroxy-3-octadecoxypropyl] dihydrogen phosphate
Synonyms Click here for help
AGP 18.1
Database Links Click here for help
GtoPdb PubChem SID 178103573
PubChem CID 10717228
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