Uridine-Diphosphate-N-Acetylgalactosamine
Thuốc Gốc
Small Molecule
CTHH: C17H27N3O17P2
PTK: 607.3537
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C17H27N3O17P2
Phân tử khối
607.3537
Monoisotopic mass
607.081569477
InChI
InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1
InChI Key
InChIKey=LFTYTUAZOPRMMI-NESSUJCYSA-N
IUPAC Name
[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid
Traditional IUPAC Name
{[(2R,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphinic acid
SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O
Độ hòa tan
1.14e+01 g/l
logP
-5.3
logS
-1.7
pKa (strongest acidic)
1.74
pKa (Strongest Basic)
-3.5
PSA
300.41 Å2
Refractivity
117.56 m3·mol-1
Polarizability
51.05 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
14
H Bond Donor Count
9
Physiological Charge
-2
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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