Di-Stearoyl-3-Sn-Phosphatidylcholine
Thuốc Gốc
Small Molecule
CTHH: C44H89NO8P
PTK: 791.1531
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C44H89NO8P
Phân tử khối
791.1531
Monoisotopic mass
790.632580341
InChI
InChI=1S/C44H88NO8P/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/h42H,6-41H2,1-5H3/p+1/t42-/m0/s1
InChI Key
InChIKey=NRJAVPSFFCBXDT-WBCKFURZSA-O
IUPAC Name
[(2S)-2,3-bis(octadecanoyloxy)propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
Traditional IUPAC Name
(2S)-2,3-bis(octadecanoyloxy)propoxy(2-(trimethylaminio)ethoxy)phosphinic acid
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
Độ hòa tan
2.96e-05 g/l
logP
9.89
logS
-7.5
pKa (strongest acidic)
1.86
pKa (Strongest Basic)
-6.7
PSA
108.36 Å2
Refractivity
235.39 m3·mol-1
Polarizability
100.58 Å3
Rotatable Bond Count
44
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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