(Z,Z)-4-Hydroxy-N,N,N-Trimethyl-10-Oxo-7-[(1-Oxo-9-Octadecenyl)Oxy]-3,5,9-Trioxa-4-Phosphaheptacos-1
Thuốc Gốc
Small Molecule
CTHH: C44H85NO8P
PTK: 787.1214
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C44H85NO8P
Phân tử khối
787.1214
Monoisotopic mass
786.601280213
InChI
InChI=1S/C44H84NO8P/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/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21+/t42-/m0/s1
InChI Key
InChIKey=SNKAWJBJQDLSFF-OOMOHMHFSA-O
IUPAC Name
[(2S)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
Traditional IUPAC Name
(2S)-2,3-bis[(9E)-octadec-9-enoyloxy]propoxy(2-(trimethylaminio)ethoxy)phosphinic acid
SMILES
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C\CCCCCCCC
Độ hòa tan
3.14e-05 g/l
logP
9.17
logS
-7.4
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
-6.7
PSA
108.36 Å2
Refractivity
237.62 m3·mol-1
Polarizability
97.54 Å3
Rotatable Bond Count
42
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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