Tìm theo
(1R)-MENTHYL HEXYL PHOSPHONATE GROUP
Thuốc Gốc
Small Molecule
CTHH: C16H33O3P
PTK: 304.4052
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
304.4052
Monoisotopic mass
304.216731434
InChI
InChI=1S/C16H33O3P/c1-5-6-7-8-11-20(17,18)19-16-12-14(4)9-10-15(16)13(2)3/h13-16H,5-12H2,1-4H3,(H,17,18)/t14-,15+,16-/m1/s1
InChI Key
InChIKey=WAVIZOVSJOXCKT-OWCLPIDISA-N
IUPAC Name
hexyl({[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy})phosphinic acid
Traditional IUPAC Name
hexyl[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxyphosphinic acid
SMILES
[H][C@@]1(C)CC[C@@]([H])(C(C)C)[C@@]([H])(C1)O[P@](O)(=O)CCCCCC
Độ hòa tan
3.84e-02 g/l
logP
4.58
logS
-3.9
pKa (strongest acidic)
1.93
PSA
46.53 Å2
Refractivity
84.04 m3·mol-1
Polarizability
35.58 Å3
Rotatable Bond Count
8
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
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