Tìm theo
2-Amino-3-(5-Tert-Butyl-3-(Phosphonomethoxy)-4-Isoxazolyl)Propionic Acid
Thuốc Gốc
Small Molecule
CTHH: C11H19N2O7P
PTK: 322.2515
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
322.2515
Monoisotopic mass
322.092987484
InChI
InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)/t7-/m0/s1
InChI Key
InChIKey=AGSOOCUNMTYPSE-ZETCQYMHSA-N
IUPAC Name
(2S)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid
Traditional IUPAC Name
(2S)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid
SMILES
CC(C)(C)C1=C(C[C@H](N)C(O)=O)C(OCP(O)(O)=O)=NO1
Độ hòa tan
6.57e-01 g/l
logP
-1.1
logS
-2.7
pKa (strongest acidic)
1.27
pKa (Strongest Basic)
9.15
PSA
156.11 Å2
Refractivity
72.46 m3·mol-1
Polarizability
29.49 Å3
Rotatable Bond Count
7
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-1
Number of Rings
1
Bioavailability
1
Rule of Five
true
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