HEXYLPHOSPHONIC ACID (S)-2-METHYL-3-PHENYLPROPYL ESTER
Thuốc Gốc
Small Molecule
CTHH: C16H27O3P
PTK: 298.3575
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
298.3575
Monoisotopic mass
298.169781242
InChI
InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m0/s1
InChI Key
InChIKey=MMTDYBZZRYOMFD-HNNXBMFYSA-N
IUPAC Name
hexyl[(2S)-2-methyl-3-phenylpropoxy]phosphinic acid
Traditional IUPAC Name
hexyl(2S)-2-methyl-3-phenylpropoxyphosphinic acid
SMILES
[H][C@@](C)(CO[P@@](O)(=O)CCCCCC)CC1=CC=CC=C1
Độ hòa tan
3.73e-02 g/l
logP
4.27
logS
-3.9
pKa (strongest acidic)
1.96
PSA
46.53 Å2
Refractivity
83.3 m3·mol-1
Polarizability
33.64 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
2
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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