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59752-57-7

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Basic Information
CAS No.: 59752-57-7
Name: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Article Data: 1
Molecular Structure:
Molecular Structure of 59752-57-7 (1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE)
Formula: C29H58NO8P
Molecular Weight: 579.755
Synonyms: (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl laurate;(R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethylene dilaurate;1,2-Didodecanoyl-sn-glycero-3-phosphoethanolamine;1,2-Dilauroyl;1,2-Dilauroyl-3-sn-phosphatidylethanolamine;1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine;3-sn-Phosphatidylethanolamine, 1,2-dilauroyl;
EINECS: 261-912-4
Density: 1.049 g/cm3
Boiling Point: 646.195 °C at 760 mmHg
Flash Point: 344.607 °C
Appearance: white to off-white crystalline powder
PSA: 144.19000
LogP: 8.07580
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Specification

The Dodecanoic acid,1,1'-[(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl]ester, with the CAS registry number 59752-57-7, is also known as 1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine. Its EINECS number is 261-912-4. This chemical's molecular formula is C29H58NO8P and molecular weight is 579.75. What's more, its systematic name is (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate.

Physical properties of Dodecanoic acid,1,1'-[(1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2-ethanediyl]ester are: (1)ACD/LogP: 8.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 28392; (6)ACD/BCF (pH 7.4): 22935; (7)ACD/KOC (pH 5.5): 10430; (8)ACD/KOC (pH 7.4): 8425; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 144.19 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 155.345 cm3; (15)Molar Volume: 552.627 cm3; (16)Polarizability: 61.583×10-24cm3; (17)Surface Tension: 40.02 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 344.607 °C; (20)Enthalpy of Vaporization: 103.969 kJ/mol; (21)Boiling Point: 646.195 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@@H](COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCC)CCCCCCCCCCC
(2)Std. InChI: InChI=1S/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)/t27-/m1/s1
(3)Std. InChIKey: ZLGYVWRJIZPQMM-HHHXNRCGSA-N