5--Monophosphate-9-Beta-D-Ribofuranosyl Xanthine
Thuốc Gốc
Small Molecule
CTHH: C10H14N4O9P
PTK: 365.2133
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H14N4O9P
Phân tử khối
365.2133
Monoisotopic mass
365.049839578
InChI
InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/p+1/t3-,5-,6+,9+/m0/s1
InChI Key
InChIKey=DCTLYFZHFGENCW-BZKDHIKHSA-O
IUPAC Name
9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-7-ium
Traditional IUPAC Name
9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-2,6-dioxo-1,3-dihydropurin-7-ium
SMILES
O[C@H]1[C@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=[NH+]C2=C1NC(=O)NC2=O
Độ hòa tan
1.80e+00 g/l
logP
-2.2
logS
-2.4
pKa (strongest acidic)
1.26
pKa (Strongest Basic)
0.069
PSA
193.72 Å2
Refractivity
73.38 m3·mol-1
Polarizability
30.35 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
7
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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