2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,5-Diol
Thuốc Gốc
Small Molecule
CTHH: C12H24O5
PTK: 248.316
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
248.316
Monoisotopic mass
248.162373878
InChI
InChI=1S/C12H24O5/c1-2-3-4-5-6-16-12-10(15)7-9(14)11(8-13)17-12/h9-15H,2-8H2,1H3/t9-,10-,11-,12-/m1/s1
InChI Key
InChIKey=TXGXIVBQPNUSRY-DDHJBXDOSA-N
IUPAC Name
(2R,3R,5R,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,5-diol
Traditional IUPAC Name
(2R,3R,5R,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,5-diol
SMILES
[H][C@@]1(O)C[C@@]([H])(O)[C@]([H])(OCCCCCC)O[C@]1([H])CO
Độ hòa tan
3.90e+01 g/l
logP
0.61
logS
-0.8
pKa (strongest acidic)
13.23
pKa (Strongest Basic)
-3
PSA
79.15 Å2
Refractivity
62.65 m3·mol-1
Polarizability
27.89 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
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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