Thymidine-3',5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H16N2O11P2
PTK: 402.1884
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H16N2O11P2
Phân tử khối
402.1884
Monoisotopic mass
402.022932388
InChI
InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=CSNCBOPUCJOHLS-GJMOJQLCSA-N
IUPAC Name
{[(2S,3R,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxyphosphonic acid
SMILES
CC1=CN([C@H]2C[C@@H](OP(O)(O)=O)[C@H](COP(O)(O)=O)O2)C(=O)NC1=O
Độ hòa tan
7.73e+00 g/l
logP
-1.4
logS
-1.7
pKa (strongest acidic)
0.85
pKa (Strongest Basic)
-4.2
PSA
192.16 Å2
Refractivity
77.16 m3·mol-1
Polarizability
31.94 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-4
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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