Tìm theo
Udp-Glucuronic Acid
Thuốc Gốc
Small Molecule
CTHH: C15H22N2O18P2
PTK: 580.2853
A nucleoside diphosphate sugar which serves as a source of glucuronic acid for polysaccharide biosynthesis. It may also be epimerized to UDP iduronic acid, which donates iduronic acid to polysaccharides. In animals, UDP glucuronic acid is used for formation of many glucosiduronides with various aglycones. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H22N2O18P2
Phân tử khối
580.2853
Monoisotopic mass
580.034284934
InChI
InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9+,10-,11+,12+,14+/m0/s1
InChI Key
InChIKey=HDYANYHVCAPMJV-USQUEEHTSA-N
IUPAC Name
(2R,3R,4R,5S,6R)-6-({[({[(2S,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional IUPAC Name
(2R,3R,4R,5S,6R)-6-[({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES
O[C@H]1[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
Độ hòa tan
1.81e+01 g/l
logP
-4.7
logS
-1.5
pKa (strongest acidic)
1.72
pKa (Strongest Basic)
-3.7
PSA
308.61 Å2
Refractivity
106.32 m3·mol-1
Polarizability
46.06 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
15
H Bond Donor Count
9
Physiological Charge
-3
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03041
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936562
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46504863
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