5-Formyl-6-Hydrofolic Acid
Thuốc Gốc
Small Molecule
CTHH: C20H21N7O7
PTK: 471.4234
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
471.4234
Monoisotopic mass
471.150246061
InChI
InChI=1S/C20H21N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8-9,12-13,22H,5-7H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m1/s1
InChI Key
InChIKey=CJLRPFSRJZBYFE-CHWSQXEVSA-N
IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
Traditional IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,6-dihydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
SMILES
NC1=NC(=O)C2=C(N1)N=C[C@@H](CNC1=CC=C(C=C1)C(=O)N[C@H](CCC(O)=O)C(O)=O)N2C=O
Độ hòa tan
1.05e-01 g/l
logP
-4
logS
-3.6
pKa (strongest acidic)
3.36
pKa (Strongest Basic)
5.01
PSA
215.88 Å2
Refractivity
125.93 m3·mol-1
Polarizability
45.29 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
12
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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