Tìm theo
Uridine-5'-Monophosphate
Thuốc Gốc
Small Molecule
CAS: 58-97-9
CTHH: C9H13N2O9P
PTK: 324.1813
5'-Uridylic acid. A uracil nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position. [PubChem]
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/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=DJJCXFVJDGTHFX-ZAKLUEHWSA-N
IUPAC Name
{[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1COP(O)(O)=O)N1C=CC(=O)NC1=O
Độ tan chảy
202 dec °C
Độ hòa tan
1.20e+01 g/l
logP
-2.5
logS
-1.4
pKa (strongest acidic)
1.23
pKa (Strongest Basic)
-3.7
PSA
165.86 Å2
Refractivity
63.44 m3·mol-1
Polarizability
26.42 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
http://www.drugbank.ca/drugs/DB03685
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6101904
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46506409
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00105
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