D-Pyridoxyl-N,O-Cycloserylamide-5-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C11H16N3O7P
PTK: 333.2344
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
333.2344
Monoisotopic mass
333.072586393
InChI
InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1
InChI Key
InChIKey=NNRZSZJOQKAGTO-SECBINFHSA-N
IUPAC Name
{[5-hydroxy-6-methyl-4-({[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino}methyl)pyridin-3-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[5-hydroxy-6-methyl-4-({[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino}methyl)pyridin-3-yl]methoxyphosphonic acid
SMILES
CC1=NC=C(COP(O)(O)=O)C(CN[C@@H]2CONC2=O)=C1O
Độ hòa tan
2.21e+00 g/l
logP
-3.4
logS
-2.2
pKa (strongest acidic)
1.74
pKa (Strongest Basic)
7.99
PSA
150.24 Å2
Refractivity
73.34 m3·mol-1
Polarizability
29.33 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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