CAS No.18656-38-7,1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	18656-38-7
Name:	1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE
Article Data:	14

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

Total:19 Page 1 of 1 1

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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%.

Dimyristoylphosphatidylcholine can be used to produce 1-tetradecanoyl-sn-glycero-3-phosphocholine

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