(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL
Thuốc Gốc
Small Molecule
CTHH: C15H31NO4
PTK: 289.4109
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
289.4109
Monoisotopic mass
289.225308485
InChI
InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChI Key
InChIKey=FTSCEGKYKXESFF-LXTVHRRPSA-N
IUPAC Name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
Traditional IUPAC Name
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
SMILES
[H][C@]1(O)CN(CCCCCCCCC)[C@]([H])(CO)[C@@]([H])(O)[C@]1([H])O
Độ hòa tan
9.58e+00 g/l
logP
1.04
logS
-1.5
pKa (strongest acidic)
12.9
pKa (Strongest Basic)
8.37
PSA
84.16 Å2
Refractivity
78.75 m3·mol-1
Polarizability
34.57 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
5
H Bond Donor Count
4
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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