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CAS No.: | 1069-79-0 |
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Name: | 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C41H82NO8 |
Molecular Weight: | 748.078 |
Synonyms: | 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine;1,2-distearoyl L-β,γ-Distearoyl-α-cephalin;3-sn-Phosphatidylethanolamine;1,2-Dioctadecanoyl-sn-glycero-3-phosphoethanolamine;1,2-dioctadecanoyl-sn-glycero-3-phosphoethanolamine;[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate;2-Aminoethyl (R)-2,3-Bis(octadecanoyloxy)propyl Hydrogen Phosphate; |
EINECS: | 213-963-9 |
Density: | 0.996 g/cm3 |
Melting Point: | 172-173 ℃ |
Boiling Point: | 760.2 °C at 760 mmHg |
Flash Point: | 413.5 °C |
Safety: | 24/25 |
PSA: | 144.19000 |
LogP: | 12.75700 |
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
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With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 25℃; for 1.5h; Reagent/catalyst; | 94% |
Octadecanoic acid (R)-2-[(2-tert-butoxycarbonylamino-ethoxy)-hydroxy-phosphoryloxy]-1-octadecanoyloxymethyl-ethyl ester
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
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With trifluoroacetic acid In dichloromethane Ambient temperature; | 93% |
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
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With acetic acid; zinc In tetrahydrofuran at 18℃; for 7h; | 81.5% |
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen; acetic acid In methanol | 80% |
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
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With acetic acid; platinum Hydrogenation; |
phosphoric acid-(2-benzyloxycarbonylamino-ethyl ester)-((R)-2,3-bis-stearoyloxy-propyl ester)-phenyl ester
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
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With palladium platinum; acetic acid Hydrogenation; |
1,2-distearoyl-sn-glycerol
dichloro-<-2-amino>ethyl>phosphinic acid
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
---|---|
(i) Py, CHCl3, (ii) Zn, AcOH, Et2O; Multistep reaction; |
N-Trityl-O-(1,2-dioctadecanoyl-sn-glycero-3-phosphoryl)-ethanolamin
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
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With hydrogen; palladium on activated charcoal |
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
---|---|
With hydrogen; platinum(IV) oxide |
1,2-distearoyl-sn-glycerol
1,2-distearoyl-sn-glycero-3-phosphoethanolamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) Et3N, POCl3, 2.) Et3N / 1.) THF, 0 deg C - room temperature, 2.) THF, 0 deg C - room temperature 2: 93 percent / TFA / CH2Cl2 / Ambient temperature View Scheme | |
Multi-step reaction with 3 steps 1: triethylamine / tetrahydrofuran 2: sodium azide / N,N-dimethyl-formamide / 85 °C 3: palladium on activated charcoal; hydrogen; acetic acid / methanol View Scheme | |
Multi-step reaction with 2 steps 1.1: 1,2,3-triazole / dichloromethane / 1 h / 25 °C 1.2: 2 h / 25 °C 1.3: 0.5 h / -5 - 0 °C 2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 1.5 h / 25 °C View Scheme |
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The 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine, with the CAS registry number of 1069-79-0, is also known as 1,2-Dioctadecanoyl-sn-glycero-3-phosphoethanolamine. Its EINECS registry number is 213-963-9. This chemical's molecular formula is C41H82NO8P and molecular weight is 748.07. What's more, its IUPAC name is [3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate. In addition, it must be stored in airtight containers and placed at -20 °C.
Physical properties about the 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine are: (1)ACD/LogP: 15.83; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 13.33; (4)ACD/LogD (pH 7.4): 13.24; (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: 3; (11)#Freely Rotating Bonds: 44; (12)Polar Surface Area: 110.41 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 210.93 cm3; (15)Molar Volume: 750.7 cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 0.996 g/cm3; (18)Flash Point: 413.5 °C; (19)Enthalpy of Vaporization: 120.46 kJ/mol; (20)Boiling Point: 760.2 °C at 760 mmHg; (21)Vapour Pressure: 2.68E-25 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)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
(3) InChIKey: LVNGJLRDBYCPGB-LDLOPFEMBT