Phosporic Acid Mono-[3,4-Dihydroxy-5-(5-Methoxy-Benzoimidazol-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Est
Thuốc Gốc
Small Molecule
CTHH: C13H17N2O8P
PTK: 360.2564
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C13H17N2O8P
Phân tử khối
360.2564
Monoisotopic mass
360.072252042
InChI
InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12+,13+/m0/s1
InChI Key
InChIKey=VYUPJUKSTVHSQI-WUHRBBMRSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methoxy-1H-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methoxy-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
COC1=CC=C2N(C=NC2=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
Độ hòa tan
1.90e+00 g/l
logP
-2.6
logS
-2.3
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
5.68
PSA
143.5 Å2
Refractivity
78.9 m3·mol-1
Polarizability
32.62 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
8
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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