Phosphoric Acid Mono-[3,4-Dihydroxy-5-(5-Hydroxy-Benzoimidazol-1-Yl)Tetrahydro-Furan-2-Ylmethyl] Est
Thuốc Gốc
Small Molecule
CTHH: C10H13N4O8P
PTK: 348.206
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N4O8P
Phân tử khối
348.206
Monoisotopic mass
348.047099924
InChI
InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7+,9+/m0/s1
InChI Key
InChIKey=BVZASCINAVSQNO-XZMZPDFPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-7H-purin-7-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(2-hydroxypurin-7-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1C=NC(O)=N2
Độ hòa tan
3.39e+00 g/l
logP
-3
logS
-2
pKa (strongest acidic)
1.2
pKa (Strongest Basic)
2.54
PSA
180.28 Å2
Refractivity
72.6 m3·mol-1
Polarizability
29.19 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
10
H Bond Donor Count
5
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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