CAS No.998-07-2,1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	998-07-2
Name:	1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE

Formula:	C₃₃H₆₆NO₈P
Molecular Weight:	635.863
Synonyms:	Myristin,1,2-di-, 2-aminoethyl hydrogen phosphate, L- (8CI);Tetradecanoic acid,1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-;Phosphoric acid, mono(2-aminoethyl) ester, monoester with 1,2-dimyristin, L-(8CI);(R)-Dimyristoylphosphatidylethanolamine;1,2-Dimyristoyl-3-sn-phosphatidylethanolamine;1,2-Dimyristoyl-L-3-phosphatidylethanolamine;1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine;1,2-Dimyristoyl-sn-glycero-3-phosphorylethanolamine;1,2-Dimyristoyl-sn-glycero-phosphoethanolamine;Dimyristoyl-L-a-phosphatidylethanolamine;Dimyristoyl-sn-glycerol-3-phosphorylethanolamine;L-a-Dimyristoylphosphatidylethanolamine;L-b,g-Dimyristoyl-a-phosphatidylethanolamine;
Density:	1.028 g/cm³
Melting Point:	191.0 to 195.0 °C
Boiling Point:	685.634 °C at 760 mmHg
Flash Point:	368.458 °C
PSA:	144.19000
LogP:	9.63620

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Specification

The Dimyristoyl phosphoethanolamine with the CAS number 998-07-2 is also called Tetradecanoic acid,(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester. The IUPAC name is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl]tetradecanoate. Its molecular formula is C₃₃H₆₆NO₈P. This chemical should be stored at −20°C.

The properties of the chemical are: (1)ACD/LogP: 11.01; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 945817; (7)ACD/KOC (pH 5.5): 149451; (8)ACD/KOC (pH 7.4): 120727; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 36; (12)Polar Surface Area: 144.19 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 173.876 cm³; (15)Molar Volume: 618.654 cm³; (16)Polarizability: 68.93×10^-24cm³; (17)Surface Tension: 39.312 dyne/cm; (18)Enthalpy of Vaporization: 109.573 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@@H](OC(=O)CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCC
(2)InChI: InChI=1/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1
(3)InChIKey: NEZDNQCXEZDCBI-WJOKGBTCBL