Tìm theo
Isocitric Acid
Thuốc Gốc
Small Molecule
CAS: 320-77-4
CTHH: C6H8O7
PTK: 192.1235
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H8O7
Phân tử khối
192.1235
Monoisotopic mass
192.02700261
InChI
InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4-/m0/s1
InChI Key
InChIKey=ODBLHEXUDAPZAU-OKKQSCSOSA-N
IUPAC Name
(1S,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
Traditional IUPAC Name
isocitric acid
SMILES
O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O
Độ hòa tan
5.25e+01 g/l
logP
-1.4
logS
-0.56
pKa (strongest acidic)
3.07
pKa (Strongest Basic)
-4
PSA
132.13 Å2
Refractivity
35.72 m3·mol-1
Polarizability
15.58 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-3
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB01727
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=447805
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506619
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00311
ChemSpider
http://www.chemspider.com/Chemical-Structure.1161.html
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