1-palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)), sodium saltProduct ingredient for 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))

Show full entry for 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))
Name
1-palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)), sodium salt
Drug Entry
1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))

Palmitoyloleoyl-phosphatidylglycerol was a component of Surfaxin, discontinued in 2017, which acted as a surfactant [FDA Label]. The product was meant to compensate for alveolar surfactant deficiency and reduce to likelihood of alveolar collapse leading to acute respiratory collapse.

See full entry for 1-Palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))
Accession Number
DBSALT001590
Structure
Similar Structures
Synonyms
Not Available
UNII
T52TI8BMQ6
CAS Number
268550-95-4
Weight
Average: 771.002
Monoisotopic: 770.50737993
Chemical Formula
C40H76NaO10P
InChI Key
FJXDNGDRHUDFST-XQYKCTAGSA-M
InChI
InChI=1S/C40H77O10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);/q;+1/p-1/b18-17-;/t37?,38-;/m1./s1
IUPAC Name
sodium (2R)-1-[(2,3-dihydroxypropyl phosphono)oxy]-3-(hexadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
SMILES
[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
ChemSpider
29763757
Predicted Properties
PropertyValueSource
Water Solubility7.26e-05 mg/mLALOGPS
logP8.58ALOGPS
logP11.46Chemaxon
logS-7ALOGPS
pKa (Strongest Acidic)1.89Chemaxon
pKa (Strongest Basic)-3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area151.65 Å2Chemaxon
Rotatable Bond Count41Chemaxon
Refractivity204.51 m3·mol-1Chemaxon
Polarizability91.23 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon