Tìm theo
Citric Acid
Các tên gọi khác (4 ) :
  • 2-Hydroxytricarballylic acid
  • 3-Carboxy-3-hydroxypentane-1,5-dioic acid
  • 3-Carboxy-3-hydroxypentane-1,5-dioic acid
  • Citronensäure
Thuốc tác dụng lên quá trình đông máu
Thuốc Gốc
Small Molecule
CAS: 77-92-9
ATC: A09AB04
CTHH: C6H8O7
PTK: 192.1235
A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability. [PubChem]
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)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key
InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-N
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Traditional IUPAC Name
citric acid
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O
Độ tan chảy
153 °C
Độ hòa tan
5.92E+005 mg/L (at 20 °C)
logP
-1.64
logS
0.51
pKa (strongest acidic)
3.05
pKa (Strongest Basic)
-4.2
PSA
132.13 Å2
Refractivity
35.62 m3·mol-1
Polarizability
15.54 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
pKa
2.79
Độc Tính : ORAL (LD50): Acute: 5040 mg/kg [Mouse]. 3000 mg/kg [Rat].
Tương Tác Thuốc :
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Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04272
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00158
KEGG Drug
http://www.genome.jp/dbget-bin/www_bget?drug:D00037
BindingDB
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=14672
PharmGKB
http://www.pharmgkb.org/drug/PA449021
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