Tìm theo
Pyrroloquinoline Quinone
Thuốc Gốc
Small Molecule
CAS: 72909-34-3
CTHH: C14H5N2O8
PTK: 329.1981
A pyrrolo-quinoline having two adjacent keto-groups at the 4 and 5 positions and three acidic carboxyl groups. It is a coenzyme of some DEHYDROGENASES. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C14H5N2O8
Phân tử khối
329.1981
Monoisotopic mass
329.004590146
InChI
InChI=1S/C14H5N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2H,(H,19,20)(H,21,22)(H,23,24)
InChI Key
InChIKey=BFXPAGBRVPZCLS-UHFFFAOYSA-N
IUPAC Name
4,5-dioxo-4H,5H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
Traditional IUPAC Name
pyrroloquinoline quinone
SMILES
OC(=O)c1cc2c(n1)C1=C(C=C(N=C1C(=O)C2=O)C(O)=O)C(O)=O
Độ hòa tan
9.66e-02 g/l
logP
0.49
logS
-3.5
pKa (strongest acidic)
2.94
pKa (Strongest Basic)
1.24
PSA
171.82 Å2
Refractivity
72.77 m3·mol-1
Polarizability
28.69 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
10
H Bond Donor Count
3
Physiological Charge
-3
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03205
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=1024
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505152
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00113
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