6-Hydroxy-7,8-Dihydro Purine Nucleoside
Thuốc Gốc
Small Molecule
CTHH: C10H14N4O5
PTK: 270.242
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
270.242
Monoisotopic mass
270.096419578
InChI
InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7+,10+/m0/s1
InChI Key
InChIKey=ZWTNXGIZBOQCAJ-FCIPNVEPSA-N
IUPAC Name
(2R,3R,4R,5S)-2-(6-hydroxy-8,9-dihydro-7H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Traditional IUPAC Name
(2R,3R,4R,5S)-2-(6-hydroxy-7,8-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1CNC2=C(O)N=CN=C12
Độ hòa tan
3.14e+01 g/l
logP
-1.3
logS
-0.94
pKa (strongest acidic)
12.39
pKa (Strongest Basic)
1.79
PSA
131.2 Å2
Refractivity
64.49 m3·mol-1
Polarizability
25.22 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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