Tìm theo
2-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Ethanesulfonic Acid
Thuốc Gốc
Small Molecule
CAS: 7365-44-8
CTHH: C6H15NO6S
PTK: 229.251
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H15NO6S
Phân tử khối
229.251
Monoisotopic mass
229.062007907
InChI
InChI=1S/C6H15NO6S/c8-3-6(4-9,5-10)7-1-2-14(11,12)13/h7-10H,1-5H2,(H,11,12,13)
InChI Key
InChIKey=JOCBASBOOFNAJA-UHFFFAOYSA-N
IUPAC Name
2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}ethane-1-sulfonic acid
Traditional IUPAC Name
2-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}ethanesulfonic acid
SMILES
OCC(CO)(CO)NCCS(O)(=O)=O
Độ hòa tan
2.40e+01 g/l
logP
-4.5
logS
-0.98
pKa (strongest acidic)
-1.5
pKa (Strongest Basic)
8.06
PSA
127.09 Å2
Refractivity
47.82 m3·mol-1
Polarizability
21.22 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02371
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=81831
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506869
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C05353
ChemSpider
http://www.chemspider.com/Chemical-Structure.73842.html
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