1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine

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Catalog Number
ACM7276382
Product Name
1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine
Structure
Structure
CAS
7276-38-2
Category
Heterocyclic Organic Compound
Synonyms
18:1-18:0 PC
IUPAC Name
[(2R)-2-Octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight
788.1
Molecular Formula
C44H86NO8P
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
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/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-/t42-/m1/s1
InChI Key
NMJCSTNQFYPVOR-VHONOUADSA-N
Complexity
930
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
787.6091057
Heavy Atom Count
54
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass
787.6091057
Physical State
Liquid
Rotatable Bond Count
43
Storage Conditions
-20 °C
Topological Polar Surface Area
111 Ų
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