2-Hexyloxy-6-Hydroxymethyl-Tetrahydro-Pyran-3,4,5-Triol
Thuốc Gốc
Small Molecule
CTHH: C12H24O6
PTK: 264.3154
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
264.3154
Monoisotopic mass
264.1572885
InChI
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1
InChI Key
InChIKey=JVAZJLFFSJARQM-YBXAARCKSA-N
IUPAC Name
(2R,3R,4S,5R,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional IUPAC Name
(2R,3R,4S,5R,6R)-2-(hexyloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES
[H][C@]1(O)[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OCCCCCC)[C@]1([H])O
Độ hòa tan
5.70e+01 g/l
logP
-0.076
logS
-0.67
pKa (strongest acidic)
12.21
pKa (Strongest Basic)
-3
PSA
99.38 Å2
Refractivity
63.75 m3·mol-1
Polarizability
28.02 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
6
H Bond Donor Count
4
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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