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1069-79-0

Basic Information
CAS No.: 1069-79-0
Name: 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine
Article Data: 9
Molecular Structure:
Molecular Structure of 1069-79-0 (1,2-Distearoyl-sn-glycero-3-phosphoethanolamine)
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
Synthetic route

C59H95N2O10P

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 25℃; for 1.5h; Reagent/catalyst;94%
115265-94-6

Octadecanoic acid (R)-2-[(2-tert-butoxycarbonylamino-ethoxy)-hydroxy-phosphoryloxy]-1-octadecanoyloxymethyl-ethyl ester

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane Ambient temperature;93%

C44H83Cl3NO10P

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With acetic acid; zinc In tetrahydrofuran at 18℃; for 7h;81.5%

C41H79N3O8P(1-)*Na(1+)

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With palladium on activated charcoal; hydrogen; acetic acid In methanol80%
4004-05-1

1,2-dioleoyl-sn-glycero-3-phosphoethanolamine

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With acetic acid; platinum Hydrogenation;
22430-36-0

phosphoric acid-(2-benzyloxycarbonylamino-ethyl ester)-((R)-2,3-bis-stearoyloxy-propyl ester)-phenyl ester

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With palladium platinum; acetic acid Hydrogenation;
1429-59-0, 10567-21-2

1,2-distearoyl-sn-glycerol

32159-15-2

dichloro-<-2-amino>ethyl>phosphinic acid

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
(i) Py, CHCl3, (ii) Zn, AcOH, Et2O; Multistep reaction;
26531-41-9

N-Trityl-O-(1,2-dioctadecanoyl-sn-glycero-3-phosphoryl)-ethanolamin

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal

1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
With hydrogen; platinum(IV) oxide
1429-59-0, 10567-21-2

1,2-distearoyl-sn-glycerol

1069-79-0

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Conditions
ConditionsYield
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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  • 1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE 1069-79-0

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  • (2R)-3-(((2-Aminoethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl distearate

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  • 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine CAS No.1069-79-0

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    1,2-Distearoyl-sn-glycero-3-phosphoethanolamine CAS No.1069-79-0

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    1,2-distearoyl-sn-glycero-3-phospho-ethanolamine

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Specification

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