Phosphatidylserine CAS#: 51446-62-9; 凯望编码 (ChemWhat Code): 855012

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名Phosphatidylserine
IUPAC Name(2S)-2-amino-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
分子结构Phosphatidylserine-CAS-51446-62-9
CAS编号 51446-62-9
MDL NumberMFCD00145110
别名Distearoylphosphatidylserine
Phosphatidylserine
51446-62-9
Phosphotidylserine
1,2-dioctadecanoyl-sn-glycero-3-phosphoserine
Distearoyl phosphatidylserine
PS(18:0/18:0)
Phosphatidylserine [INCI]
Phosphatidylserine(36:0)
Dioctadecanoylphosphatidylserine
PSer(36:0)
(2S)-2-Amino-3-((((R)-2,3-bis(stearoyloxy)propoxy)-(hydroxy)phosphoryl)oxy)propanoic acid
Phosphatidyl serine [WHO-DD]
394XK0IH40
Phosphatidylserine(18:0/18:0)
PSer(18:0/18:0)
1,2-distearoyl-sn-glycero-3-phosphoserine
(2S)-2-amino-3-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
1446756-47-3
1,2-distearoyl-sn-glycero-3-phospho-l-serine
L-Serine, 2,3-bis[(1-oxooctadecyl)oxy]propyl ester, dihydrogen phosphate (ester), (R)-
O-[(R)-{[(2r)-2,3-Bis(Octadecanoyloxy)propyl]oxy}(Hydroxy)phosphoryl]-L-Serine
SCHEMBL24649
UNII-394XK0IH40
CHEMBL4297669
CHEBI:84519
DTXSID10866199
PHOSPHATIDYLSERINE [VANDF]
PHOSPHOTIDYLSERINE [VANDF]
LMGP03010036
AKOS016011101
PS(36:0)
1,2-distearoyl-rac-glycero-3-phosphoserine
PS(36:00)
H12024
Q27157825
O-{(2R)-2,3-bis(octadecanoyloxy)propoxyphosphoryl}-L-serine
(2S)-2-Amino-3-((((R)-2,3-bis(stearoyloxy)propoxy)-(hydroxy)phosphoryl)oxy)propanoicacid
(2S,8R)-2-Amino-5-hydroxy-11-oxo-8-[(1-oxooctadecyl)oxy]-4,6,10-trioxa-5-phosphaoctacosanoic acid 5-oxide sodium salt
分子式C42H82NO10P
分子量792.1
InChIInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChI KeyTZCPCKNHXULUIY-RGULYWFUSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC

Physical Data

AppearanceYellow powder
Melting Point, °C
159 – 161

Spectra

No data available

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Phosphatidylserine CAS 51446-62-9
Route of Synthesis (ROS) of Phosphatidylserine CAS 51446-62-9
ConditionsYield
With acetic acid; zinc at 25℃; for 10h;

Experimental Procedure
4.e (e) Synthesis of 1,2-distearoyl-sn-glycerol-3-phosphatidylserine
In a 100ml round bottom flask, 10g of compound Vd was dissolved in 50ml of acetic acid, 6.51g of zinc powder was added, and the reaction was carried out at 25°C for 10 hours.The reaction formula is shown in the following formula (19):TLC monitors the completion of the reaction, adds 110 mL of dichloromethane to remove insoluble matter by suction filtration, evaporates the solvent, adds methanol for recrystallization, suction filtration, and drying to obtain 5.76 g of compound VId with a yield of 80%.		80%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

HS Code
StorageUnder room temperature away from light
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
分子量792.088
logP13.009
HBA11
HBD3
Matching Lipinski Rules1
Veber rules component
Polar Surface Area (PSA)181.49
Rotatable Bond (RotB)44
Matching Veber Rules0
Use Pattern
Phosphatidylserine CAS#: 51446-62-9 is extracted from residual material of natural soybean oil. It is an active substance in cell membranes, particularly present in brain cells. Its primary function is to enhance the functionality of nerve cells, regulate the transmission of nerve impulses, and improve memory function in the brain. Due to its strong lipophilicity, it can rapidly pass through the blood-brain barrier upon absorption, exerting a soothing effect on vascular smooth muscle cells and increasing blood supply to the brain.

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