Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine |
EINECS | 248-056-7 |
CAS No. | 26853-31-6 | Density | N/A |
PSA | 121.00000 | LogP | 12.23820 |
Solubility | N/A | Melting Point |
-3 °C |
Formula | C42H82NO8P | Boiling Point | N/A |
Molecular Weight | 760.089 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium,4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, hydroxide,inner salt, 4-oxide, [R-(Z)]-;Choline, hydroxide, dihydrogen phosphate, innersalt, ester with 1-palmito-2-olein, L- (8CI);1-Palmitoyl-2-oleoyl-3-sn-phosphatidylcholine;1-Palmitoyl-2-oleoyl-L-a-lecithin;1-Palmitoyl-2-oleoyl-L-a-phosphatidylcholine;1-Palmitoyl-2-oleoyl-sn-3-phosphocholine;1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylcholine;1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphorylcholine;1-Palmitoyl-2-oleoyl-sn-glycero-phosphatidylcholine;1-Palmitoyl-2-oleoyl-sn-glycero-phosphocholine;1-Palmitoyl-2-oleoyl-sn-glycerol-3-phosphatidylcholine;1-Palmitoyl-2-oleoyl-sn-glyceryl-3-phosphorylcholine;1-Palmitoyl-2-oleyl-3-sn-phosphatidylcholine;2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine;3,5,8-Trioxa-4-phosphahexacos-17-en-1-aminium,4-hydroxy-N,N,N-trimethyl-9-oxo-7-[[(1-oxohexadecyl)oxy]methyl]-, inner salt,4-oxide, [R-(Z)]-;L-a-1-Palmitoyl-2-oleoylphosphatidylcholine;POPC; |
Article Data | 8 |
The 2-Oleoyl-1-palmitoyl-sn-glycero-3-phosphocholine, with CAS registry number 26853-31-6, has the systematic name of (2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate. And this chemical should be stored at the temperature of −20°C. When use this chemical, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 11.42; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.02; (4)ACD/LogD (pH 7.4): 12.02; (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: 1; (11)#Freely Rotating Bonds: 41; (12)Polar Surface Area: 118.17 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
(3)InChIKey: WTJKGGKOPKCXLL-VYOBOKEXBX
(4)Std. InChI: InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1
(5)Std. InChIKey: WTJKGGKOPKCXLL-VYOBOKEXSA-N