Deoxyuridine-5'-Triphosphate
Thuốc Gốc
Small Molecule
CTHH: C9H15N2O14P3
PTK: 468.1417
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15N2O14P3
Phân tử khối
468.1417
Monoisotopic mass
467.973612734
InChI
InChI=1S/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)/t5-,6+,8-/m1/s1
InChI Key
InChIKey=AHCYMLUZIRLXAA-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)oxy](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}oxy(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
O[C@@H]1C[C@@H](O[C@H]1CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
8.63e+00 g/l
logP
-2.5
logS
-1.7
pKa (strongest acidic)
0.9
pKa (Strongest Basic)
-3.2
PSA
238.69 Å2
Refractivity
83.67 m3·mol-1
Polarizability
34.31 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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