Tìm theo
Uridine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CAS: 58-98-0
CTHH: C9H14N2O12P2
PTK: 404.1612
A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. [PubChem]
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C9H14N2O12P2
Phân tử khối
404.1612
Monoisotopic mass
404.002196946
InChI
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8+/m0/s1
InChI Key
InChIKey=XCCTYIAWTASOJW-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]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}oxyphosphonic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CO[P@](O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
Độ hòa tan
8.89e+00 g/l
logP
-3
logS
-1.7
pKa (strongest acidic)
1.77
pKa (Strongest Basic)
-3.7
PSA
212.39 Å2
Refractivity
74.31 m3·mol-1
Polarizability
30.95 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
10
H Bond Donor Count
6
Physiological Charge
-2
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB03435
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=6101632
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505736
KEGG Compound
http://www.genome.jp/dbget-bin/www_bget?cpd:C00015
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