Tìm theo
Sucrose Octasulfate
Thuốc Gốc
Small Molecule
CAS: 57680-56-5
CTHH: C12H22O35S8
PTK: 982.802
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H22O35S8
Phân tử khối
982.802
Monoisotopic mass
981.770727994
InChI
InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5+,6+,7-,8+,9-,10-,11-,12-/m1/s1
InChI Key
InChIKey=WEPNHBQBLCNOBB-FZJVNAOYSA-N
IUPAC Name
[(2S,3R,4R,5R)-4-(sulfooxy)-2,5-bis[(sulfooxy)methyl]-5-{[(2R,3R,4S,5S,6R)-3,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}oxolan-3-yl]oxidanesulfonic acid
Traditional IUPAC Name
sucrose octasulfate
SMILES
OS(=O)(=O)OC[C@@H]1O[C@](COS(O)(=O)=O)(O[C@H]2O[C@H](COS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@H]2OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Độ hòa tan
1.45e+00 g/l
logP
-4.1
logS
-2.8
pKa (strongest acidic)
-3.4
PSA
536.49 Å2
Refractivity
148.71 m3·mol-1
Polarizability
73.07 Å3
Rotatable Bond Count
21
H Bond Acceptor Count
27
H Bond Donor Count
8
Physiological Charge
-8
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01901
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936252
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504489
ChemSpider
http://www.chemspider.com/Chemical-Structure.2600325.html
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