Tìm theo
Dihydrolipoic Acid
Thuốc Gốc
Small Molecule
CAS: 462-20-4
CTHH: C8H16O2S2
PTK: 208.341
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C8H16O2S2
Phân tử khối
208.341
Monoisotopic mass
208.059171136
InChI
InChI=1S/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)/t7-/m1/s1
InChI Key
InChIKey=IZFHEQBZOYJLPK-SSDOTTSWSA-N
IUPAC Name
(6R)-6,8-disulfanyloctanoic acid
Traditional IUPAC Name
(R)-dihydrolipoic acid
SMILES
[H][C@](S)(CCS)CCCCC(O)=O
Độ hòa tan
1.03e-01 g/l
logP
2.2
logS
-3.3
pKa (strongest acidic)
4.91
pKa (Strongest Basic)
-9.6
PSA
37.3 Å2
Refractivity
55.94 m3·mol-1
Polarizability
23.27 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
2
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03760
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=9834298
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508127
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C02147
ChemSpider
http://www.chemspider.com/Chemical-Structure.8010019.html
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=16436
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