1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine

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Catalog Number
ACM59403531
Product Name
1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine
Structure
Structure
CAS
59403-53-1
Category
Heterocyclic Organic Compound
Synonyms
18:0-16:0 PC
IUPAC Name
[(2R)-2-Hexadecanoyloxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight
762.1
Molecular Formula
C42H84NO8P
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C42H84NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/t40-/m1/s1
InChI Key
BYSIMVBIJVBVPA-RRHRGVEJSA-N
Complexity
857
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
761.59345564
Heavy Atom Count
52
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Monoisotopic Mass
761.59345564
Physical State
Powder
Rotatable Bond Count
42
Storage Conditions
-20 °C
Topological Polar Surface Area
111 Ų
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