SMPC

CAT: 1118-LP-R4-152-05Size: 10 gDry Ice: NoHazardous: No

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CAT#:1118-LP-R4-152-05Size:10 g

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CAS Number

20664-02-2

Purity

≥98% (HPTLC)

Molecular Weight

734.04

Chemical Information

1-Stearoyl-2-myristoylphosphatidylcholine

1-stearoyl-2-myristoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 32:0 in which the acyl group specified at positions 1 and 2 are stearoyl and myristoyl respectively. It is a phosphatidylcholine 32:0 and a tetradecanoate ester. It is functionally related to an octadecanoic acid.

CAS Number	20664-02-2
PubChem CID	3082163
IUPAC Name	[(2R)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C40H80NO8P
Molecular Weight	734.0
XLogP	13.5
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	40
Heavy Atom Count	50
Formal Charge	0
Complexity	826

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1

InChIKey

MZWGYEJOZNRLQE-KXQOOQHDSA-N

Chemical Structure

2D Structure

CAS: 20664-02-2

CID: 3082163

Formula: C40H80NO8P

MW: 734.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	734.0
XLogP3	13.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	40
Exact Mass	733.56215551
Monoisotopic Mass	733.56215551
Topological Polar Surface Area	111 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	826
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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