5'-Deoxy-5'-Methylthioadenosine
Thuốc Gốc
Small Molecule
CTHH: C11H15N5O3S
PTK: 297.334
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
297.334
Monoisotopic mass
297.089560061
InChI
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8+,11+/m0/s1
InChI Key
InChIKey=WUUGFSXJNOTRMR-WOIOKPISSA-N
IUPAC Name
(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol
Traditional IUPAC Name
(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(methylsulfanyl)methyl]oxolane-3,4-diol
SMILES
CSC[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2N
Độ hòa tan
6.50e+00 g/l
logP
-0.61
logS
-1.7
pKa (strongest acidic)
12.47
pKa (Strongest Basic)
4.99
PSA
119.31 Å2
Refractivity
74.03 m3·mol-1
Polarizability
29.3 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
7
H Bond Donor Count
3
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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