Di-Linoleoyl-3-Sn-Phosphatidylcholine
Thuốc Gốc
Small Molecule
CTHH: C44H80NO8P
PTK: 782.0817
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C44H80NO8P
Phân tử khối
782.0817
Monoisotopic mass
781.562155053
InChI
InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14+,17-15+,22-20+,23-21+/t42-/m0/s1
InChI Key
InChIKey=FVXDQWZBHIXIEJ-QLMRABNMSA-N
IUPAC Name
(2-{[(S)-((2S)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium
Traditional IUPAC Name
(2-{[(S)-((2S)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propyl phosphonato)]oxy}ethyl)trimethylazanium
SMILES
CCCCC\C=C\C\C=C\CCCCCCCC(=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
3.16e-05 g/l
logP
8.44
logS
-7.4
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
-6.7
PSA
111.19 Å2
Refractivity
238.74 m3·mol-1
Polarizability
95.17 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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