1,2-Dinonanoyl-sn-glycero-3-phosphocholine

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Catalog Number
ACM27869450
Product Name
1,2-Dinonanoyl-sn-glycero-3-phosphocholine
Structure
Structure
CAS
27869-45-0
Category
Heterocyclic Organic Compound
Synonyms
PC(9:0/9:0)
IUPAC Name
[(2R)-2,3-Di(nonanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight
537.7
Molecular Formula
C26H52NO8P
Canonical SMILES
CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
InChI
InChI=1S/C26H52NO8P/c1-6-8-10-12-14-16-18-25(28)32-22-24(35-26(29)19-17-15-13-11-9-7-2)23-34-36(30,31)33-21-20-27(3,4)5/h24H,6-23H2,1-5H3/t24-/m1/s1
InChI Key
CKGVBFQDYSPMSY-XMMPIXPASA-N
Complexity
615
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
537.34305461
Heavy Atom Count
36
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC
Monoisotopic Mass
537.34305461
Physical State
Powder
Rotatable Bond Count
26
Storage Conditions
-20 °C
Topological Polar Surface Area
111 Ų
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