1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-rac-(1-glycerol) ammonium salt|ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl (10Z)-octadec-10-enoate|ammonium (2R)-1...

General Information

Structure

Molecular Formula

C₄₀H₈₀NO₁₀P

Molecular Mass

766.037661

Exact Mass

765.5519844

Charge

InChI

InChI=1S/C40H77O10P.H3N/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;/h15,17,37-38,41-42H,3-14,16,18-36H2,1-2H3,(H,45,46);1H3/b17-15-;/t37?,38-;/m1./s1

InChIKey

RVRILIVONLLHGP-FOVVTBNVSA-N

Canonic Smiles

CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCC/C=C\CCCCCCC)COP(=O)(OCC(CO)O)[O-].[NH4+]

Isomeric Smiles

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC/C=C\CCCCCCC.[NH4+]

Calculated Properties

JChem

Acid pKa

1.8907738

H Acceptors

H Donor

LogD (pH = 5.5)

9.112453

LogD (pH = 7.4)

9.088186

Log P

11.464267

Molar Refractivity

204.5058

Polarizability

81.9419

Polar Surface Area

151.65

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-rac-(1-glycerol) ammonium saltL-α-Phosphatidyl-DL-glycerol, β-oleoyl-γ-palmitoyl (C18:1,[cis]-9/C16:0) ammonium salt

IUPAC name

ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl (10Z)-octadec-10-enoate

IUPAC Traditional name

ammonium (2R)-1-[(2,3-dihydroxypropyl phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl (10Z)-octadec-10-enoate

Names and Identifiers

Registration numbers

PubChem SID

24898808162228681

PubChem CID

16219887

Registration numbers

Properties