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MRTC ,AIDS191821,AIDS-191821,Methyl 1-ribofuranosyl-1,2,4-triazole-3-c

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摘 要:MRTC ,AIDS191821,AIDS-191821,Methyl 1-ribofuranosyl-1,2,4-triazole-3-carboxamidate ,1H-1,2,4-Triazole-3-carboximidic acid, 1-beta-D-ribofuranosyl-, methyl ester,1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,2,4]triazole-3-carboximidic
[Synonyms]
MRTC
AIDS191821
AIDS-191821
Methyl 1-ribofuranosyl-1,2,4-triazole-3-carboxamidate
1H-1,2,4-Triazole-3-carboximidic acid, 1-beta-D-ribofuranosyl-, methyl ester
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,2,4]triazole-3-carboximidic acid methyl ester
120362-25-6

[Structure]
MRTC ,AIDS191821,AIDS-191821,Methyl 1-ribofuranosyl-1,2,4-triazole-3-c

[ Properties Computed from Structure]
Molecular Weight258.23126 [g/mol]
Molecular FormulaC9H14N4O5
XLogP-1.2
H-Bond Donor4
H-Bond Acceptor9
Rotatable Bond Count4
Exact Mass258.09642
MonoIsotopic Mass258.09642
Topological Polar Surface Area134
Heavy Atom Count18
Formal Charge0
Complexity317
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)-2-(hydroxymethyl)-5-[3-(methoxycarbonimidoyl)-1,2,
4-triazol-1-yl]oxolane-3,4-diol
Canonical SMILES: COC(=N)C1=NN(C=N1)C2C(C(C(O2)CO)O)O
Isomeric SMILES: COC(=N)C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1/C9H14N4O5/c1-17-7(10)8-11-3-13(12-8)9-6(16)5(15)4(2-14)18-9/h3-
6,9-10,14-16H,2H2,1H3/b10-7-/t4-,5-,6-,9-/m1/s1

 
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