3'-THIO-THYMIDINE-5'-PHOSPHATE
Thuốc Gốc
Small Molecule
CTHH: C10H15N2O7PS
PTK: 338.274
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N2O7PS
Phân tử khối
338.274
Monoisotopic mass
338.033758046
InChI
InChI=1S/C10H15N2O7PS/c1-5-3-12(10(14)11-9(5)13)8-2-7(21)6(19-8)4-18-20(15,16)17/h3,6-8,21H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=BORVFKJZAOEGOO-GJMOJQLCSA-N
IUPAC Name
{[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methoxyphosphonic acid
SMILES
[H][C@]1(S)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)N1C=C(C)C(=O)NC1=O
Độ hòa tan
1.25e+00 g/l
logP
-0.17
logS
-2.4
pKa (strongest acidic)
1.28
pKa (Strongest Basic)
-4.2
PSA
125.4 Å2
Refractivity
72.44 m3·mol-1
Polarizability
29.53 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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