2'-deoxyuridine 5'-alpha,beta-imido-diphosphate
Các tên gọi khác (1) :
- 2,4(1h,3h)-pyrimidinedione, 1-[2-deoxy-5-o-[hydroxy(phosphonoamino)phosphinyl]-beta-d-erythro-pentofuranosyl]-
Thuốc Gốc
Small Molecule
CTHH: C9H15N3O10P2
PTK: 387.177
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15N3O10P2
Phân tử khối
387.177
Monoisotopic mass
387.023266739
InChI
InChI=1S/C9H15N3O10P2/c13-5-3-8(12-2-1-7(14)10-9(12)15)22-6(5)4-21-24(19,20)11-23(16,17)18/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H4,11,16,17,18,19,20)/t5-,6+,8-/m1/s1
InChI Key
InChIKey=COFNIXBQVWFHTR-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]phosphonic acid
Traditional IUPAC Name
{[(2S,3R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}aminophosphonic acid
SMILES
O[C@@H]1C[C@@H](O[C@H]1CO[P@@](O)(=O)NP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
7.58e+00 g/l
logP
-2.8
logS
-1.7
pKa (strongest acidic)
1.06
pKa (Strongest Basic)
-3.2
PSA
194.96 Å2
Refractivity
74.75 m3·mol-1
Polarizability
30.62 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
9
H Bond Donor Count
6
Physiological Charge
-3
Number of Rings
2
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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