3'-Uridinemonophosphate
Thuốc Gốc
Small Molecule
CTHH: C9H13N2O9P
PTK: 324.1813
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H13N2O9P
Phân tử khối
324.1813
Monoisotopic mass
324.035866536
InChI
InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6+,7-,8+/m0/s1
InChI Key
InChIKey=FOGRQMPFHUHIGU-VXUIKNBNSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid
SMILES
OC[C@@H]1O[C@H]([C@H](O)[C@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
1.29e+01 g/l
logP
-2.5
logS
-1.4
pKa (strongest acidic)
0.87
pKa (Strongest Basic)
-3
PSA
165.86 Å2
Refractivity
63.44 m3·mol-1
Polarizability
26.16 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
8
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
2
Bioavailability
1
Rule of Five
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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