Basic information
- Name:
1-o-Hexadecyl-2-arachidonyl-sn-glycero-3-phosphocholine
- CAS No.:
86288-11-1
- Molecular Structure:
- Formula:
- C44H82NO7P
- Molecular Weight:
- 768.1
- Synonyms:
- 2-[[(2R)-3-hexadecoxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-propoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium;
- Flash Point:
- 14 °C
- Hazard Symbols:
F, 
Xi- Risk Codes:
- 11-36/37/38
- Safety Description:
- 16-26-36 Details
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Specification
The 1-o-Hexadecyl-2-arachidonyl-sn-glycero-3-phosphocholine, with the CAS registry number of 86288-11-1, is also known as l-α-Phosphatidylcholine, β-arachidonoyl-gamma-o-hexadecyl and 1-o-Hexadecyl-2-o-arachidonoyl-sn-glycero-3-phosphorylcholine. This chemical's molecular formula is C44H82NO7P and molecular weight is 768.1. What's more, its IUPAC name is [(2R)-3-hexadecoxy-2-[(5Z, 8Z, 11Z, 14Z)-icosa-5, 8, 11, 14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate. In addition, it should be stored at -20 ℃.
Physical properties about 1-o-Hexadecyl-2-arachidonyl-sn-glycero-3-phosphocholine are: (1)ACD/LogP: 11.23; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.83; (4)ACD/LogD (pH 7.4): 11.83; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 101.1 Å2; (13) Flash Point: 14 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)COCCCCCCCCCCCCCCCC)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
(2) InChI: InChI=1/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
(3) InChIKey: DUUSFCFZBREELS-WWBBCYQPBG
