(5-Methyl-6-Oxo-1,6-Dihydro-Pyridin-3-Yl)-1,2-Dideoxy-Ribofuranose-5-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C11H16NO7P
PTK: 305.221
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C11H16NO7P
Phân tử khối
305.221
Monoisotopic mass
305.066438383
InChI
InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9-,10+/m1/s1
InChI Key
InChIKey=MUWYCJQCZPFLFI-BBBLOLIVSA-N
IUPAC Name
{[(2S,3R,5R)-3-hydroxy-5-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,5R)-3-hydroxy-5-(5-methyl-6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CC(=CNC1=O)[C@H]1C[C@@H](O)[C@H](COP(O)(O)=O)O1
Độ hòa tan
4.26e+00 g/l
logP
-1.4
logS
-1.9
pKa (strongest acidic)
1.24
pKa (Strongest Basic)
-2.6
PSA
125.32 Å2
Refractivity
68.57 m3·mol-1
Polarizability
27.46 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
4
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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