3-[(1-Amino-2-Carboxy-Ethyl)-Hydroxy-Phosphinoyl]-2-Methyl-Propionic Acid
Thuốc Gốc
Small Molecule
CTHH: C7H14NO6P
PTK: 239.1629
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C7H14NO6P
Phân tử khối
239.1629
Monoisotopic mass
239.055873697
InChI
InChI=1S/C7H14NO6P/c1-4(7(11)12)3-15(13,14)5(8)2-6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t4-,5-/m0/s1
InChI Key
InChIKey=NJOTXUMMTTYQMQ-WHFBIAKZSA-N
IUPAC Name
(2R)-3-{[(1S)-1-amino-2-carboxyethyl](hydroxy)phosphoryl}-2-methylpropanoic acid
Traditional IUPAC Name
(2R)-3-[(1S)-1-amino-2-carboxyethyl(hydroxy)phosphoryl]-2-methylpropanoic acid
SMILES
C[C@@H](C[P@@](O)(=O)[C@H](N)CC(O)=O)C(O)=O
Độ hòa tan
2.90e+01 g/l
logP
-2.6
logS
-0.92
pKa (strongest acidic)
-0.07
pKa (Strongest Basic)
10.01
PSA
137.92 Å2
Refractivity
49.69 m3·mol-1
Polarizability
20.52 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
7
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
0
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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