Sulfoquinovose-Uridine-C1,5'-Diphosphate
Thuốc Gốc
Small Molecule
CTHH: C15H24N2O19P2S
PTK: 630.366
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H24N2O19P2S
Phân tử khối
630.366
Monoisotopic mass
630.01692031
InChI
InChI=1S/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,28)35-14-12(23)10(21)9(20)6(34-14)4-39(29,30)31/h1-2,5-6,8-14,19-23H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24)(H,29,30,31)/t5-,6-,8-,9-,10+,11+,12-,13+,14+/m0/s1
InChI Key
InChIKey=FQANCGQCBCUSMI-LJMZODOWSA-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-trihydroxyoxan-2-yl]methanesulfonic 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-trihydroxyoxan-2-yl]methanesulfonic acid
SMILES
O[C@H]1[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@H]2O[C@@H](CS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O
Độ hòa tan
2.45e+01 g/l
logP
-5.3
logS
-1.4
pKa (strongest acidic)
-1.3
pKa (Strongest Basic)
-3.7
PSA
325.68 Å2
Refractivity
114.85 m3·mol-1
Polarizability
51.32 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
16
H Bond Donor Count
9
Physiological Charge
-3
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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