2'-Deoxyuridine 5'-Alpha,Beta-Imido-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C9H16N3O13P3
PTK: 467.1569
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H16N3O13P3
Phân tử khối
467.1569
Monoisotopic mass
466.989597149
InChI
InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8-/m1/s1
InChI Key
InChIKey=XZLLMTSKYYYJLH-GKROBHDKSA-N
IUPAC Name
({[({[(2S,3R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
({[(2S,3R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}amino(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
O[C@@H]1C[C@@H](O[C@H]1CO[P@@](O)(=O)N[P@](O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
8.34e+00 g/l
logP
-3.2
logS
-1.8
pKa (strongest acidic)
0.58
pKa (Strongest Basic)
-3.2
PSA
241.49 Å2
Refractivity
85.62 m3·mol-1
Polarizability
35.18 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
11
H Bond Donor Count
7
Physiological Charge
-4
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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