Tìm theo
Phenyl-Uridine-5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C15H18N2O12P2
PTK: 480.2571
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H18N2O12P2
Phân tử khối
480.2571
Monoisotopic mass
480.033497074
InChI
InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13+,14+/m0/s1
InChI Key
InChIKey=ZHUWBKDWWGKIEN-SCUASFONSA-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(phenoxy)phosphoryl]oxy})phosphinic acid
Traditional IUPAC Name
[(2S,3R,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[hydroxy(phenoxy)phosphoryl]oxyphosphinic acid
SMILES
O[C@@H]1[C@@H](O)[C@@H](O[C@H]1CO[P@](O)(=O)O[P@@](O)(=O)OC1=CC=CC=C1)N1C=CC(=O)NC1=O
Độ hòa tan
5.51e+00 g/l
logP
-0.92
logS
-1.9
pKa (strongest acidic)
1.63
pKa (Strongest Basic)
-3.7
PSA
201.39 Å2
Refractivity
98.57 m3·mol-1
Polarizability
38.73 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
9
H Bond Donor Count
5
Physiological Charge
-2
Number of Rings
3
Bioavailability
1
Rule of Five
true
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB02790
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46936490
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=46505810
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