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Chemical structure of 1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31

GC68500

1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31

Also known as [(2R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoyloxy)-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-Palmitoyl-2-oleoyl-sn-glycero-3-PC-d31 is the deuterated form of 1-Palmitoyl-2-oleoyl-sn-glycero-3-PC· 1-Palmitoyl-2-oleoyl-sn-glycero-3-PC (POPC) is a phospholipid and a major component of biological membranes· It is used for the preparation of liposomes and for studying the properties of lipid bilayers

ChemicalCAS179093-76-6MW791.27FormulaC42H51D31NO8P
CAS number
179093-76-6
Molecular weight
791.27
Formula
C42H51D31NO8P
Solubility
Ethanol ： ≥ 25 mg/mL (31·59 mM)
InChIKey
WTJKGGKOPKCXLL-KHCKXXADSA-N
Catalogue number
GC68500
Brand
GLPBIO
Computed properties PubChem CID 46891719 · XLogP 13.6 · TPSA 111 Ų · H-bond donors 0
XLogP
13.6
TPSA
111 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
41
Heavy atoms
52

SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC

Computed descriptors from PubChem (CID 46891719), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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