Basic information
- Name:
Hexadecanoic acid,1,1'-[(1R)-1-[[[(3-amino-1-oxopropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl]ester
- Superlist Name:
- Dipalmitoyl phosphoethanolamine
- CAS No.:
923-61-5
- Molecular Structure:
![Molecular Structure of 923-61-5 (Hexadecanoic acid,1,1'-[(1R)-1-[[[(3-amino-1-oxopropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl]ester)](http://www.lookchem.com/300w/2010/0624/923-61-5.jpg)
- Formula:
- C37H74NO8P
- Molecular Weight:
- 691.96
- Synonyms:
- Hexadecanoicacid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediylester (9CI);Hexadecanoic acid,1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester, (R)-;Palmitin, 1,2-di-, 2-aminoethyl hydrogen phosphate, L- (8CI);(R)-Dipalmitoylphosphatidylethanolamine;1,2-Dihexadecanoyl-sn-glycerol-3-phosphorylethanolamine;1,2-Dipalmitoyl-3-sn-phosphatidylethanolamine;1,2-Dipalmitoyl-L-3-phosphatidylethanolamine;1,2-Dipalmitoyl-L-a-phosphatidylethanolamine;1,2-Dipalmitoyl-sn-glycero-3-phosphatidylethanolamine;1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine;1,2-Dipalmitoyl-sn-glycero-3-phosphorylethanolamine;1,2-Dipalmitoyl-sn-glycerol-3-L-a-phosphorylethanolamine;1,2-Dipalmitoyl-sn-glycerol-3-phosphoethanolamine;1,2-Dipalmitoyl-sn-glycerol-3-phosphorylethanolamine;1,2-Dipalmitoyl-sn-glycerophosphoethanolamine;1,2-Dipalmitoylglycerophosphorylethanolamine;Coatsome ME 6060;DHPE;Dipalmitoyl-L-a-cephalin;Dipalmitoyl-L-a-phosphatidylethanolamine;L-a-Dipalmitoylphosphatidylethanolamine;L-b,g-Dipalmitoyl-a-phosphatidylethanolamine;
- EINECS:
- 213-097-1
- Density:
- 1.01 g/cm3
- Boiling Point:
- 723.6 °C at 760 mmHg
- Flash Point:
- 391.4 °C
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Specification
The Hexadecanoic acid,1,1'-[(1R)-1-[[[(3-amino-1-oxopropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl]ester, with the CAS registry number 923-61-5 and EINECS registry number 213-097-1, has the systematic name of (2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl hexadecanoate. It should be stored in the sealed containers with temperature under -20°C. And the molecular formula of the chemical is C37H74NO8P.
The characteristics of Hexadecanoic acid,1,1'-[(1R)-1-[[[(3-amino-1-oxopropoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl]ester are as followings: (1)ACD/LogP: 13.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 11.2; (4)ACD/LogD (pH 7.4): 11.11; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2141499.75; (8)ACD/KOC (pH 7.4): 1729899.63; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 110.41 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 192.4 cm3; (15)Molar Volume: 684.6 cm3; (16)Polarizability: 76.27×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 391.4 °C; (20)Enthalpy of Vaporization: 115.07 kJ/mol; (21)Boiling Point: 723.6 °C at 760 mmHg; (22)Vapour Pressure: 6.6E-23 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O[C@@H](COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
(3)InChIKey: SLKDGVPOSSLUAI-PGUFJCEWBE