1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL
Thuốc Gốc
Small Molecule
CTHH: C16H32F3O6P
PTK: 408.3907
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H32F3O6P
Phân tử khối
408.3907
Monoisotopic mass
408.188859883
InChI
InChI=1S/C16H32F3O6P/c1-3-4-5-6-7-8-9-10-11-23-12-15(25-26(20,21)22-2)13-24-14-16(17,18)19/h15H,3-14H2,1-2H3,(H,20,21)/t15-/m0/s1
InChI Key
InChIKey=YBCDZAGHRGXDRX-HNNXBMFYSA-N
IUPAC Name
{[(2S)-1-(decyloxy)-3-(2,2,2-trifluoroethoxy)propan-2-yl]oxy}(methoxy)phosphinic acid
Traditional IUPAC Name
[(2S)-1-(decyloxy)-3-(2,2,2-trifluoroethoxy)propan-2-yl]oxy(methoxy)phosphinic acid
SMILES
[H][C@](COCCCCCCCCCC)(COCC(F)(F)F)O[P@](O)(=O)OC
Độ hòa tan
6.63e-03 g/l
logP
4.65
logS
-4.8
pKa (strongest acidic)
1.9
pKa (Strongest Basic)
-3.9
PSA
74.22 Å2
Refractivity
92.3 m3·mol-1
Polarizability
40.76 Å3
Rotatable Bond Count
18
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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