Tìm theo
Dipyrromethane Cofactor
Thuốc Gốc
Small Molecule
CTHH: C20H24N2O8
PTK: 420.4132
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
420.4132
Monoisotopic mass
420.153265754
InChI
InChI=1S/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h16H,2-9H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/t16-/m1/s1
InChI Key
InChIKey=PIVMSLFNTMAVDI-MRXNPFEDSA-N
IUPAC Name
3-[(2R)-2-{[3-(2-carboxyethyl)-4-(carboxymethyl)-2H-pyrrol-5-yl]methyl}-4-(carboxymethyl)-5-methyl-2H-pyrrol-3-yl]propanoic acid
Traditional IUPAC Name
dipyrromethane cofactor
SMILES
CC1=N[C@H](CC2=NCC(CCC(O)=O)=C2CC(O)=O)C(CCC(O)=O)=C1CC(O)=O
Độ hòa tan
4.07e-02 g/l
logP
-3.4
logS
-4
pKa (strongest acidic)
2.6
pKa (Strongest Basic)
6.63
PSA
173.92 Å2
Refractivity
103.32 m3·mol-1
Polarizability
42.23 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
10
H Bond Donor Count
4
Physiological Charge
-4
Number of Rings
2
Bioavailability
1
Rule of Five
true
... loading
... loading