Palmitoyl-Linoleoyl Phosphatidylcholine
Thuốc Gốc
Small Molecule
CTHH: C42H80NO8P
PTK: 758.0603
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
758.0603
Monoisotopic mass
757.562155053
InChI
InChI=1S/C42H80NO8P/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/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14+,21-20+/t40-/m0/s1
InChI Key
InChIKey=JLPULHDHAOZNQI-GSZNELEDSA-N
IUPAC Name
(2-{[(S)-((2S)-3-(hexadecanoyloxy)-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium
Traditional IUPAC Name
(2-{[(S)-((2S)-3-(hexadecanoyloxy)-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC
Độ hòa tan
2.53e-05 g/l
logP
8.28
logS
-7.5
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
-6.7
PSA
111.19 Å2
Refractivity
227.3 m3·mol-1
Polarizability
94.29 Å3
Rotatable Bond Count
40
H Bond Acceptor Count
4
H Bond Donor Count
0
Physiological Charge
0
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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