Tìm theo
D-Myo-Inositol-Hexasulphate
Thuốc Gốc
Small Molecule
CTHH: C6H12O24S6
PTK: 660.535
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H12O24S6
Phân tử khối
660.535
Monoisotopic mass
659.804275452
InChI
InChI=1S/C6H12O24S6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H,7,8,9)(H,10,11,12)(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)/t1-,2-,3-,4-,5-,6+
InChI Key
InChIKey=NBTMNFYXJYCQHQ-OQYPVSDDSA-N
IUPAC Name
[(1S,2R,3S,4R,5R,6S)-2,3,4,5,6-pentakis(sulfooxy)cyclohexyl]oxidanesulfonic acid
Traditional IUPAC Name
[(1S,2R,3S,4R,5R,6S)-2,3,4,5,6-pentakis(sulfooxy)cyclohexyl]oxidanesulfonic acid
SMILES
OS(=O)(=O)O[C@H]1[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@H](OS(O)(=O)=O)[C@@H]1OS(O)(=O)=O
Độ hòa tan
3.94e-01 g/l
logP
-3.5
logS
-3.2
pKa (strongest acidic)
-3.5
PSA
381.6 Å2
Refractivity
95.73 m3·mol-1
Polarizability
47.29 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
18
H Bond Donor Count
6
Physiological Charge
-6
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01666
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=65302
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508928
ChemSpider
http://www.chemspider.com/Chemical-Structure.58790.html
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