Tìm theo
Uridine 5'-Triphosphate
Thuốc Gốc
Small Molecule
CAS: 63-39-8
CTHH: C9H15N2O15P3
PTK: 484.1411
Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H15N2O15P3
Phân tử khối
484.1411
Monoisotopic mass
483.968527356
InChI
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=PGAVKCOVUIYSFO-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}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
Traditional IUPAC Name
({[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CO[P@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
8.37e+00 g/l
logP
-3.4
logS
-1.8
pKa (strongest acidic)
0.9
pKa (Strongest Basic)
-3.7
PSA
258.92 Å2
Refractivity
85.18 m3·mol-1
Polarizability
35.1 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
12
H Bond Donor Count
7
Physiological Charge
-3
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB04005
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=5746425
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46507277
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00075
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