The Dierucoyl phosphatidylcholine is an organic compound with the formula C44H84NO8P. The IUPAC name of this chemical is [(2S)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl]2-(trimethylazaniumyl)ethyl phosphate. With the CAS registry number 4235-95-4, it is also named as 1,2-Dioleoyl-sn-glycero-3-phosphocholine. Besides, it should be stored in a dark, dry place at temperature of -20 °C.
Physical properties about Dierucoyl phosphatidylcholine are: (1)ACD/LogP: 11.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13; (4)ACD/LogD (pH 7.4): 13; (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: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 42; (12)Polar Surface Area: 121 Å2.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed and danger of serious damage to health by prolonged exposure. Besides, this chemical is irritating to skin and limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
(3)InChIKey: SNKAWJBJQDLSFF-NVKMUCNABJ
(4)Std. InChI: InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21-/t42-/m1/s1
(5)Std. InChIKey: SNKAWJBJQDLSFF-NVKMUCNASA-N
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