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| CAS No.: | 18656-38-7 |
|---|---|
| Name: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE |
| Molecular Structure: | |
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| Formula: | C36H72NO8P |
| Molecular Weight: | 677.943 |
| Synonyms: | 3,5,9-Trioxa-4-phosphatricosan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxotetradecyl)oxy]-, inner salt,4-oxide, (?à)-;Choline, hydroxide,dihydrogen phosphate, inner salt, ester with 1,2-dimyristin, DL- (8CI);Choline, phosphate, ester with DL-1,2-dimyristin (6CI);Myristin, 1,2-di-,dihydrogen phosphate, monoester with choline hydroxide, inner salt, DL- (8CI);1,2-Dimyristoyl-3-lecithin;1,2-Dimyristoyl-DL-phosphatidylcholine;1,2-Dimyristoylglycerol-3-phosphorylcholine;1,2-Dimyristoyllecithin;1,2-Ditetradecanoylphosphatidylcholine;1,2-Ditetradecyl-rac-glycero-3-phosphocholine;1,2-rac-Dimyristoylglycero-3-phosphocholine;Choline, hydroxide, dihydrogenphosphate, inner salt, ester with 1,2-dimyristin;Coatsome MC-4040;DL-Dimyristoyllecithin;DL-a-Dimyristoylglycerophosphocholine;DL-b,g-Dimyristoyl-a-lecithin;Dimyristoyl glycerophosphocholine;Dimyristoyl-DL-a-phosphatidylcholine;Dimyristoyl-a-lecithin;Dimyristoyllecithin;Ditetradecanoylglycerophosphorylcholine;Ditetradecanoylphosphatidylcholine; |
| EINECS: | 242-481-1 |
| Safety: | 22-24/25 |
| PSA: | 121.00000 |
| LogP: | 10.12160 |
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Specification
The Dimyristoylphosphatidylcholine, with the CAS registry number 18656-38-7, is also known as (1)-(7-Myristoyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphatricosyl)trimethylammonium 4-oxide. Its EINECS registry number is 242-481-1. This chemical's molecular formula is C36H72NO8P and molecular weight is 677.93. Its IUPAC name is called 2,3-di(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.
Physical properties of Dimyristoylphosphatidylcholine: (1)ACD/LogP: 8.75; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.35; (4)ACD/LogD (pH 7.4): 9.35; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5469624; (8)ACD/KOC (pH 7.4): 5469846.5; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 36.
Uses of Dimyristoylphosphatidylcholine: it can be used to produce 1-tetradecanoyl-sn-glycero-3-phosphocholine at temperature of 37 °C. This reaction will need reagent CaCl2 and solvent H2O with reaction time of 2 days. The yield is about 52%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
(2)InChI: InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3
(3)InChIKey: CITHEXJVPOWHKC-UHFFFAOYSA-N