THYMIDINE-5'-THIOPHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C10H15N2O7PS
PTK: 338.274
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
338.274
Monoisotopic mass
338.033758046
InChI
InChI=1S/C10H15N2O7PS/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(19-8)4-18-20(16,17)21/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,21)/t6-,7+,8+/m0/s1
InChI Key
InChIKey=OJRKJKYGUAALCJ-XLPZGREQSA-N
IUPAC Name
{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(sulfanylidene)phosphonous acid
Traditional IUPAC Name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy(sulfanylidene)phosphonous acid
SMILES
[H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=S)N1C=C(C)C(=O)NC1=O
Độ hòa tan
3.01e+00 g/l
logP
-0.35
logS
-2
pKa (strongest acidic)
1.82
pKa (Strongest Basic)
-3.2
PSA
128.56 Å2
Refractivity
74.28 m3·mol-1
Polarizability
29.86 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
6
H Bond Donor Count
4
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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