6-Hydroxy-1,6-Dihydro Purine Nucleoside
Thuốc Gốc
Small Molecule
CTHH: C10H15N4O5
PTK: 271.2499
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
271.2499
Monoisotopic mass
271.10424461
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/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7+,9+,10+/m0/s1
InChI Key
InChIKey=WGRXVKRHIMUTPD-DGCCPWOOSA-O
IUPAC Name
(6R)-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-6,9-dihydro-1H-purin-7-ium
Traditional IUPAC Name
(6R)-9-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1,6-dihydropurin-7-ium
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=[NH+]C2=C1N=CN[C@@H]2O
Độ hòa tan
8.40e+00 g/l
logP
-2.7
logS
-1.6
pKa (strongest acidic)
11.92
pKa (Strongest Basic)
6.39
PSA
133.61 Å2
Refractivity
61.95 m3·mol-1
Polarizability
25.48 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
7
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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