2-Fluoro-2-Deoxy-Beta-D-Galactopyranosyl-Beta-D-Glucopyranose
Thuốc Gốc
Small Molecule
CTHH: C12H21FO10
PTK: 344.2875
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H21FO10
Phân tử khối
344.2875
Monoisotopic mass
344.111875097
InChI
InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4+,5-,6-,7-,8-,9-,10-,11-,12+/m1/s1
InChI Key
InChIKey=KWMZPXRIEZDXAQ-DHRRBEGDSA-N
IUPAC Name
(2R,3R,4R,5S,6S)-5-{[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol
Traditional IUPAC Name
(2R,3R,4R,5S,6S)-5-{[(2S,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@H]2CO)[C@H](F)[C@@H](O)[C@@H]1O
Độ hòa tan
2.90e+02 g/l
logP
-3.8
logS
-0.07
pKa (strongest acidic)
11.28
pKa (Strongest Basic)
-3
PSA
169.3 Å2
Refractivity
66.64 m3·mol-1
Polarizability
30.88 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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