Tìm theo
4-Deoxy-4-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/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m0/s1
InChI Key
InChIKey=KGSURTOFVLAWDC-RUTHBDMASA-N
IUPAC Name
(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-5-sulfanyloxane-2,3,4-triol
Traditional IUPAC Name
4-thio-β-D-glucopyranose
SMILES
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1S
Độ hòa tan
5.30e+01 g/l
logP
-2
logS
-0.57
pKa (strongest acidic)
9.49
pKa (Strongest Basic)
-3
PSA
90.15 Å2
Refractivity
42.13 m3·mol-1
Polarizability
18.28 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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