Pmp-Hydroxyisoxazole, Pyridoxamine-5-Phosphate-Hydroxyisoxazole
Thuốc Gốc
Small Molecule
CTHH: C11H14N3O7P
PTK: 331.2185
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H14N3O7P
Phân tử khối
331.2185
Monoisotopic mass
331.056936329
InChI
InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19)
InChI Key
InChIKey=PXWFNGNWQUPGPJ-UHFFFAOYSA-N
IUPAC Name
[(5-hydroxy-4-{[(3-hydroxy-1,2-oxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methoxy]phosphonic acid
Traditional IUPAC Name
(5-hydroxy-4-{[(3-hydroxy-1,2-oxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methoxyphosphonic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CNC2=CON=C2O)=C1O
Độ hòa tan
2.35e+00 g/l
logP
-3
logS
-2.1
pKa (strongest acidic)
1.75
pKa (Strongest Basic)
5.74
PSA
158.17 Å2
Refractivity
76.71 m3·mol-1
Polarizability
28.89 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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