Tìm theo
8-Hydroxy-2'-Deoxyguanosine
Thuốc Gốc
Small Molecule
CAS: 88847-89-6
CTHH: C10H13N5O5
PTK: 283.2407
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H13N5O5
Phân tử khối
283.2407
Monoisotopic mass
283.091668551
InChI
InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5-/m1/s1
InChI Key
InChIKey=HCAJQHYUCKICQH-MROZADKFSA-N
IUPAC Name
2-amino-8-hydroxy-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Traditional IUPAC Name
2-amino-8-hydroxy-9-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
SMILES
NC1=NC2=C(N=C(O)N2[[email protected]]2C[[email protected]@H](O)[[email protected]](CO)O2)C(=O)N1
Độ hòa tan
1.48e+01 g/l
logP
-1.4
logS
-1.3
pKa (strongest acidic)
10.09
pKa (Strongest Basic)
1.59
PSA
155.22 Å2
Refractivity
64.56 m3·mol-1
Polarizability
26.12 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
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