Tìm theo
2-Aminoethanesulfonic Acid
Thuốc Gốc
Small Molecule
CAS: 107-35-7
CTHH: C2H7NO3S
PTK: 125.147
A conditionally essential nutrient, important during mammalian development. It is present in milk but is isolated mostly from ox bile and strongly conjugates bile acids. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C2H7NO3S
Phân tử khối
125.147
Monoisotopic mass
125.014663785
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChI Key
InChIKey=XOAAWQZATWQOTB-UHFFFAOYSA-N
IUPAC Name
2-aminoethane-1-sulfonic acid
Traditional IUPAC Name
taurine
SMILES
NCCS(O)(=O)=O
Độ tan chảy
328 °C
Độ hòa tan
8.07E+004 mg/L (at 20 °C)
logP
-2.6
logS
-0.08
pKa (strongest acidic)
-1.5
pKa (Strongest Basic)
9.34
PSA
80.39 Å2
Refractivity
24.61 m3·mol-1
Polarizability
10.82 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
4
H Bond Donor Count
2
Physiological Charge
0
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01956
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1123
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506189
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00245
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00047
ChemSpider
http://www.chemspider.com/Chemical-Structure.1091.html
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