POPC

CAT: 1118-LP-R4-031-03Size: 250 mgDry Ice: NoHazardous: No

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CAT#:1118-LP-R4-031-03Size:250 mg

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CAS Number

26853-31-6

Purity

≥99% (HPTLC)

Molecular Weight

760.08

Chemical Information

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

1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is a phosphatidylcholine 34:1 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively. It has a role as a mouse metabolite. It is a 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine betaine and a phosphatidylcholine 34:1. It is functionally related to a hexadecanoic acid and an oleic acid.

CAS Number	26853-31-6
PubChem CID	5497103
IUPAC Name	[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C42H82NO8P
Molecular Weight	760.1
XLogP	13.6
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	41
Heavy Atom Count	52
Formal Charge	0
Complexity	899

SMILES

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

InChI

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1

InChIKey

WTJKGGKOPKCXLL-VYOBOKEXSA-N

Chemical Structure

2D Structure

CAS: 26853-31-6

CID: 5497103

Formula: C42H82NO8P

MW: 760.1

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	760.1
XLogP3	13.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	41
Exact Mass	759.57780557
Monoisotopic Mass	759.57780557
Topological Polar Surface Area	111 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	899
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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