Thymidine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C10H17N2O14P3
PTK: 482.1683
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H17N2O14P3
Phân tử khối
482.1683
Monoisotopic mass
481.989262798
InChI
InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8-/m1/s1
InChI Key
InChIKey=NHVNXKFIZYSCEB-GJMOJQLCSA-N
IUPAC Name
{[hydroxy({[hydroxy({[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid
Traditional IUPAC Name
[hydroxy({hydroxy[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphoryl}oxy)phosphoryl]oxyphosphonic acid
SMILES
CC1=CN([C@H]2C[C@@H](O)[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)C(=O)NC1=O
Độ hòa tan
7.78e+00 g/l
logP
-2.1
logS
-1.8
pKa (strongest acidic)
0.9
pKa (Strongest Basic)
-3.2
PSA
238.69 Å2
Refractivity
88.03 m3·mol-1
Polarizability
36.43 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
11
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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