1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5'MONOPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C12H15F2O6P
PTK: 324.2145
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H15F2O6P
Phân tử khối
324.2145
Monoisotopic mass
324.057431134
InChI
InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1
InChI Key
InChIKey=NMMWBGNJJMNAIJ-QJPTWQEYSA-N
IUPAC Name
{[(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F
Độ hòa tan
2.10e+00 g/l
logP
1.21
logS
-2.2
pKa (strongest acidic)
1.24
pKa (Strongest Basic)
-3.2
PSA
96.22 Å2
Refractivity
68.46 m3·mol-1
Polarizability
27.37 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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