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1,2-Dioctanoyl PC

CAT: 0024-sc-204956ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204956ASize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19191-91-4

Chemical Information

1,2-Dioctanoyl-sn-glycero-3-phosphocholine

1,2-dioctanoyl-sn-glycero-3-phosphocholine is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octanoyl. It is a 1,2-diacyl-sn-glycero-3-phosphocholine and an octanoate ester.

CAS Number19191-91-4
PubChem CID24779244
IUPAC Name[(2R)-2,3-di(octanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC24H48NO8P
Molecular Weight509.6
XLogP4.8
Topological Polar Surface Area111
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Heavy Atom Count34
Formal Charge0
Complexity586
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChI
InChI=1S/C24H48NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h22H,6-21H2,1-5H3/t22-/m1/s1
InChIKey
YHIXRNNWDBPKPW-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dioctanoyl-sn-glycero-3-phosphocholine
CAS: 19191-91-4
CID: 24779244
Formula: C24H48NO8P
MW: 509.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.6
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Exact Mass509.31175449
Monoisotopic Mass509.31175449
Topological Polar Surface Area111 Ų
Heavy Atom Count34
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
GTR19190865-011,2-Dioctanoyl PC
HY-W718023-011,2-Dioctanoyl-3-chloropropanediol
MBS39203871,3-Dioctanoyl-2-chloropropanediol
FD179972-011,2-Dioctanoyl-sn-glycerol
HY-W854295Phosphatidylinositol-1,2-dioctanoyl (sodium)
MBS5797956PtdIns-(1,2-dioctanoyl)(sodium salt)
TRC-D481180-10MGrac-1,2-Dioctanoyl-3-Chloropropanediol
JEA79658-011,3-Dioctanoyl-2-oleoyl glycerol
MBS39203641,3-Dioctanoyl-2-chloropropanediol-d5
GTR19191012-01PtdIns- (1,2-dioctanoyl) (sodium salt)

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