(2r)-2-(Aminomethyl)-2,4-Dihydroxy-5-Oxo-3-(2-Oxoethyl)-2,5-Dihydro-1h-Imidazol-3-Ium
Thuốc Gốc
Small Molecule
CTHH: C6H10N3O5
PTK: 204.1607
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C6H10N3O5
Phân tử khối
204.1607
Monoisotopic mass
204.062045445
InChI
InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m0/s1
InChI Key
InChIKey=IMYOMVNQPPPJHU-LURJTMIESA-O
IUPAC Name
(2S)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium
Traditional IUPAC Name
(2S)-2-(aminomethyl)-1-(carboxymethyl)-2,5-dihydroxy-4-oxo-3H-imidazol-1-ium
SMILES
NC[C@]1(O)NC(=O)C(O)=[N+]1CC(O)=O
Độ hòa tan
1.20e+01 g/l
logP
-7.4
logS
-1.3
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
7.25
PSA
135.89 Å2
Refractivity
53.66 m3·mol-1
Polarizability
17.4 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
6
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading