5-Methyluridine 5'-Monophosphate
Thuốc Gốc
Small Molecule
CTHH: C10H15N2O9P
PTK: 338.2079
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C10H15N2O9P
Phân tử khối
338.2079
Monoisotopic mass
338.0515166
InChI
InChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7+,9+/m0/s1
InChI Key
InChIKey=IGWHDMPTQKSDTL-XZMZPDFPSA-N
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
SMILES
CC1=CN([C@@H]2O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]2O)C(=O)NC1=O
Độ hòa tan
8.91e+00 g/l
logP
-2.1
logS
-1.6
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
-3.7
PSA
165.86 Å2
Refractivity
67.8 m3·mol-1
Polarizability
28.45 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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