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))

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.

Accession Number
DBSALT001590
Structure
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