5-Methyl-5,6,7,8-Tetrahydrofolic Acid
Thuốc Gốc
Small Molecule
CTHH: C20H25N7O6
PTK: 459.4558
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H25N7O6
Phân tử khối
459.4558
Monoisotopic mass
459.186631567
InChI
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m1/s1
InChI Key
InChIKey=ZNOVTXRBGFNYRX-CHWSQXEVSA-N
IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
Traditional IUPAC Name
(2R)-2-{[4-({[(6R)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid
SMILES
CN1[C@H](CNC2=CC=C(C=C2)C(=O)N[C@H](CCC(O)=O)C(O)=O)CNC2=C1C(=O)NC(N)=N2
Độ hòa tan
3.46e-01 g/l
logP
-2.8
logS
-3.1
pKa (strongest acidic)
3.22
pKa (Strongest Basic)
4.64
PSA
198.48 Å2
Refractivity
126.88 m3·mol-1
Polarizability
46.07 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
11
H Bond Donor Count
7
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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