Tìm theo
Thiodigalactoside
Thuốc Gốc
Small Molecule
CAS: 51555-87-4
CTHH: C12H22O10S
PTK: 358.362
Thiodigalactoside is a solid. This compound belongs to the dihexoses. These are disaccharides containing two hexose carbohydrates. This medication is known to target galectin-1, heat-labile enterotoxin b chain, neurocan core protein, and lactose permease.
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H22O10S
Phân tử khối
358.362
Monoisotopic mass
358.093367614
InChI
InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4+,5-,6+,7+,8-,9-,10+,11+,12-
InChI Key
InChIKey=SYKYBMOFPMXDRQ-SOIZYFOBSA-N
IUPAC Name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}oxane-3,4,5-triol
Traditional IUPAC Name
thiodigalactoside
SMILES
OC[C@H]1O[C@@H](S[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Độ hòa tan
4.52e+02 g/l
logP
-4.4
logS
0.1
pKa (strongest acidic)
12.17
pKa (Strongest Basic)
-3
PSA
180.3 Å2
Refractivity
74.7 m3·mol-1
Polarizability
33.65 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
8
Physiological Charge
0
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04396
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936966
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46509001
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