Alpha-Ribazole-5'-Phosphate Derivative
Thuốc Gốc
Small Molecule
CTHH: C12H15N2O7P
PTK: 330.2305
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C12H15N2O7P
Phân tử khối
330.2305
Monoisotopic mass
330.061687356
InChI
InChI=1S/C12H15N2O7P/c15-10-9(5-20-22(17,18)19)21-12(11(10)16)14-6-13-7-3-1-2-4-8(7)14/h1-4,6,9-12,15-16H,5H2,(H2,17,18,19)/t9-,10-,11+,12+/m0/s1
InChI Key
InChIKey=YPYFPLLZCVEYCS-NNYUYHANSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(1H-1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(1,3-benzodiazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1C=CC=C2
Độ hòa tan
2.41e+00 g/l
logP
-2.5
logS
-2.1
pKa (strongest acidic)
1.22
pKa (Strongest Basic)
5.31
PSA
134.27 Å2
Refractivity
72.44 m3·mol-1
Polarizability
29.42 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
7
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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