Tìm theo
1-Thio-Beta-D-Glucopyranose
Thuốc Gốc
Small Molecule
CTHH: C6H12O5S
PTK: 196.221
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H12O5S
Phân tử khối
196.221
Monoisotopic mass
196.040544184
InChI
InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChI Key
InChIKey=JUSMHIGDXPKSID-DVKNGEFBSA-N
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyloxane-3,4,5-triol
Traditional IUPAC Name
1-thio-β-D-glucopyranose
SMILES
OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
6.26e+01 g/l
logP
-2
logS
-0.5
pKa (strongest acidic)
8.64
pKa (Strongest Basic)
-3
PSA
90.15 Å2
Refractivity
42.14 m3·mol-1
Polarizability
18.29 Å3
Rotatable Bond Count
1
H Bond Acceptor Count
5
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
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