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SOPC

CAT: 1118-LP-R4-550-05Size: 10 gDry Ice: NoHazardous: No
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CAT#:1118-LP-R4-550-05Size:10 g
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CAS Number
56421-10-4
Purity
≥98% (HPTLC)
Molecular Weight
788.13
Related Products
POPC, SMPC, SOPE, 1,3-POPE
Grade
R&D

Chemical Information

1-Stearoyl-2-oleoyl-sn-glycero-3-phosphocholine

1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 36:1 in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and oleoyl respectively. It is a 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine and a 1-octadecanoyl-2-octadecenoyl-sn-glycero-3-phosphocholine. It is a conjugate base of a 1-stearoyl-2-oleoyl-sn-glycero-3-phosphocholine(1+).

CAS Number56421-10-4
PubChem CID24778825
IUPAC Name[(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC44H86NO8P
Molecular Weight788.1
XLogP14.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count43
Heavy Atom Count54
Formal Charge0
Complexity930
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,42H,6-20,22,24-41H2,1-5H3/b23-21-/t42-/m1/s1
InChIKey
ATHVAWFAEPLPPQ-VRDBWYNSSA-N
Chemical Structure
2D Structure
2D structure of 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphocholine
CAS: 56421-10-4
CID: 24778825
Formula: C44H86NO8P
MW: 788.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight788.1
XLogP314.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count43
Exact Mass787.60910570
Monoisotopic Mass787.60910570
Topological Polar Surface Area111 Ų
Heavy Atom Count54
Formal Charge0
Complexity930
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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