4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
Thuốc Gốc
Small Molecule
CTHH: C12H25NO5
PTK: 263.3306
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
263.3306
Monoisotopic mass
263.173272915
InChI
InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1
InChI Key
InChIKey=MSXUDXAZMKOOST-YBXAARCKSA-N
IUPAC Name
(2R,3R,4S,5R,6R)-4-amino-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,5-diol
Traditional IUPAC Name
(2R,3R,4S,5R,6R)-4-amino-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,5-diol
SMILES
[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O
Độ hòa tan
3.61e+01 g/l
logP
-0.18
logS
-0.86
pKa (strongest acidic)
12.67
pKa (Strongest Basic)
8.81
PSA
105.17 Å2
Refractivity
65.41 m3·mol-1
Polarizability
29.37 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
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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