Structure

InChI Key KILNVBDSWZSGLL-KXQOOQHDSA-N
Smile CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H80NO8P
Molecular Weight 734.05
AlogP 10.61
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 38.0
Polar Surface Area 111.19
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 50.0

Pharmacology

Action Mechanism of Action Reference
None Lung surfactant DailyMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 72999
ChEMBL CHEMBL1200737
DrugBank DB09114
DrugCentral 730
EPA CompTox DTXSID5046720
FDA SRS 319X2NFW0A
Human Metabolome Database HMDB0000564
PDB PCF
PubChem 452110
SureChEMBL SCHEMBL24980