Tìm theo
5,10-Methylene-6-Hydrofolic Acid
Thuốc Gốc
Small Molecule
CTHH: C20H21N7O6
PTK: 455.424
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
455.424
Monoisotopic mass
455.155331439
InChI
InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1
InChI Key
InChIKey=BHJAPJNOACHPNI-CHWSQXEVSA-N
IUPAC Name
(2R)-2-({4-[(6aS)-3-amino-1-oxo-1H,4H,6aH,7H,8H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}formamido)pentanedioic acid
Traditional IUPAC Name
(2R)-2-({4-[(6aS)-3-amino-1-oxo-4H,6aH,7H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}formamido)pentanedioic acid
SMILES
NC1=NC(=O)C2=C(N1)N=C[C@@H]1CN(CN21)C1=CC=C(C=C1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Độ hòa tan
3.35e-01 g/l
logP
-2.9
logS
-3.1
pKa (strongest acidic)
3.24
pKa (Strongest Basic)
5.19
PSA
190.02 Å2
Refractivity
123.22 m3·mol-1
Polarizability
44.33 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
12
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
4
Bioavailability
1
MDDR-Like Rule
true
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