Tìm theo
Alpha-ketoisovalerate
Các tên gọi khác (9 ) :
  • 2-Keto-3-methylbutyric acid
  • 2-Ketovaline
  • 2-Oxo-3-methylbutanoate
  • 2-Oxoisopentanoate
  • 2-Oxoisovalerate
  • 3-Methyl-2-oxobutanoate
  • 3-Methyl-2-oxobutanoic acid
  • 3-Methyl-2-oxobutyric acid
  • alpha-Ketovaline
Thuốc Gốc
Small Molecule
CAS: 759-05-7
CTHH: C5H8O3
PTK: 116.1152
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C5H8O3
Phân tử khối
116.1152
Monoisotopic mass
116.047344122
InChI
InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
InChI Key
InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-N
IUPAC Name
3-methyl-2-oxobutanoic acid
Traditional IUPAC Name
α-ketoisovalerate
SMILES
CC(C)C(=O)C(O)=O
Độ tan chảy
31.5 °C
Độ sôi
170.5 °C
Độ hòa tan
3.02e+01 g/l
logP
1.31
logS
-0.59
pKa (strongest acidic)
3.37
pKa (Strongest Basic)
-9.7
PSA
54.37 Å2
Refractivity
27.19 m3·mol-1
Polarizability
11.04 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04074
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=49
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46508074
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00141
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