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5-Apas-utp ,5-((4-Azidophenacyl)thio)uridine 5'-triphosphate ,Urid

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摘 要:5-Apas-utp ,5-((4-Azidophenacyl)thio)uridine 5'-triphosphate ,Uridine 5'-(tetrahydrogen triphosphate), 5-((2-(4-azidophenyl)-2-oxoethyl)thio)-,120853-61-4, [(2R,3S,4R,5R)-5-[5-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-2,,4-dioxopyrimidin-1-yl]-3
[Synonyms]
5-Apas-utp
5-((4-Azidophenacyl)thio)uridine 5'-triphosphate
Uridine 5'-(tetrahydrogen triphosphate), 5-((2-(4-azidophenyl)-2-oxoethyl)thio)-
120853-61-4

[Structure]
5-Apas-utp ,5-((4-Azidophenacyl)thio)uridine 5'-triphosphate ,Urid

[ Properties Computed from Structure]
Molecular Weight675.350883 [g/mol]
Molecular FormulaC17H20N5O16P3S
H-Bond Donor7
H-Bond Acceptor18
Rotatable Bond Count13
Tautomer Count6
Exact Mass674.98386
MonoIsotopic Mass674.98386
Topological Polar Surface Area290
Heavy Atom Count42
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom StereoCenter Count4
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [(2R,3S,4R,5R)-5-[5-[2-(4-azidophenyl)-2-oxoethyl]sulfanyl-2,
4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl
(hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Canonical SMILES: C1=CC(=CC=C1C(=O)CSC2=CN(C(=O)NC2=O)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)
(O)O)O)O)N=[N+]=[N-]
Isomeric SMILES: C1=CC(=CC=C1C(=O)CSC2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)
(O)OP(=O)(O)OP(=O)(O)O)O)O)N=[N+]=[N-]
InChI: InChI=1/C17H20N5O16P3S/c18-21-20-9-3-1-8(2-4-9)10(23)7-42-12-5-22(17(27)
19-15(12)26)16-14(25)13(24)11(36-16)6-35-40(31,32)38-41(33,34)37-39(28,
29)30/h1-5,11,13-14,16,24-25H,6-7H2,(H,31,32)(H,33,34)(H,19,26,27)(H2,
28,29,30)/t11-,13-,14-,16-/m1/s1/f/h19,28-29,31,33H

 
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