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

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Catalog Number
ACM37070487
Product Name
1,2-Didocosanoyl-sn-glycero-3-phosphocholine
Structure
Structure
CAS
37070-48-7
Category
Heterocyclic Organic Compound
Synonyms
L-α-Phosphatidylcholine, dibehenoyl
IUPAC Name
[(2R)-2,3-Di(docosanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight
902.4
Molecular Formula
C52H104NO8P
Canonical SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1
InChI Key
HRTBOPUWPUXROO-VCZQVZGSSA-N
Complexity
1010
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
1
Exact Mass
901.74995627
H-Bond Acceptor
8
H-Bond Donor
0
Heavy Atom Count
62
Hydrogen Bond Acceptor Count
8
Hydrogen Bond Donor Count
0
Isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC
Monoisotopic Mass
901.74995627
Physical State
Powder
Rotatable Bond Count
52
Storage Conditions
-20 °C
Topological Polar Surface Area
111 Ų
WGK Germany
3
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