1-Octadecyl-2-Acetamido-2-Deoxy-Sn-Glycerol-3-Phosphoethylmethyl Sulfide
Thuốc Gốc
Small Molecule
CTHH: C26H54NO6PS
PTK: 539.749
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C26H54NO6PS
Phân tử khối
539.749
Monoisotopic mass
539.340945667
InChI
InChI=1S/C26H54NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-23-26(27-25(2)28)24-33-34(29,30)32-21-22-35-3/h26H,4-24H2,1-3H3,(H,27,28)(H,29,30)/t26-/m0/s1
InChI Key
InChIKey=ZULTVWFLRZJENJ-SANMLTNESA-N
IUPAC Name
[(2S)-2-acetamido-3-(octadecyloxy)propoxy][2-(methylsulfanyl)ethoxy]phosphinic acid
Traditional IUPAC Name
(2S)-2-acetamido-3-(octadecyloxy)propoxy(2-(methylsulfanyl)ethoxy)phosphinic acid
SMILES
CCCCCCCCCCCCCCCCCCOC[C@@H](CO[P@](O)(=O)OCCSC)NC(C)=O
Độ hòa tan
3.49e-04 g/l
logP
7.11
logS
-6.2
pKa (strongest acidic)
1.92
pKa (Strongest Basic)
-0.95
PSA
94.09 Å2
Refractivity
147.14 m3·mol-1
Polarizability
65.76 Å3
Rotatable Bond Count
27
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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