4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
Thuốc Gốc
Small Molecule
CTHH: C14H29NO5
PTK: 291.3838
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
291.3838
Monoisotopic mass
291.204573043
InChI
InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
InChI Key
InChIKey=HABUHWBZDNZBSI-MBJXGIAVSA-N
IUPAC Name
(2R,3R,4S,5R,6R)-4-amino-2-(hydroxymethyl)-6-(octyloxy)oxane-3,5-diol
Traditional IUPAC Name
(2R,3R,4S,5R,6R)-4-amino-2-(hydroxymethyl)-6-(octyloxy)oxane-3,5-diol
SMILES
[H][C@]1(N)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCCCC)[C@]1([H])O
Độ hòa tan
1.00e+01 g/l
logP
0.71
logS
-1.5
pKa (strongest acidic)
12.67
pKa (Strongest Basic)
8.81
PSA
105.17 Å2
Refractivity
74.61 m3·mol-1
Polarizability
33.61 Å3
Rotatable Bond Count
9
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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