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ERTC ,Ethyl 1-ribofuranosyl-1,2,4-triazole-3-carboximidate ,1H-1,2,4-T

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摘 要:ERTC ,Ethyl 1-ribofuranosyl-1,2,4-triazole-3-carboximidate ,1H-1,2,4-Triazole-3-carboximidic acid, 1-beta-D-ribofuranosyl-, ethyl ester,120362-26-7, (2R,3R,4S,5R)-2-[3-(ethoxycarbonimidoyl)-1,2,,4-triazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol,Canon
[Synonyms]
ERTC
Ethyl 1-ribofuranosyl-1,2,4-triazole-3-carboximidate
1H-1,2,4-Triazole-3-carboximidic acid, 1-beta-D-ribofuranosyl-, ethyl ester
120362-26-7

[Structure]
ERTC ,Ethyl 1-ribofuranosyl-1,2,4-triazole-3-carboximidate ,1H-1,2,4-T

[ Properties Computed from Structure]
Molecular Weight272.25784 [g/mol]
Molecular FormulaC10H16N4O5
XLogP-0.8
H-Bond Donor4
H-Bond Acceptor9
Rotatable Bond Count5
Exact Mass272.11207
MonoIsotopic Mass272.11207
Topological Polar Surface Area134
Heavy Atom Count19
Formal Charge0
Complexity331
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,3R,4S,5R)-2-[3-(ethoxycarbonimidoyl)-1,2,
4-triazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Canonical SMILES: CCOC(=N)C1=NN(C=N1)C2C(C(C(O2)CO)O)O
Isomeric SMILES: CCOC(=N)C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1/C10H16N4O5/c1-2-18-8(11)9-12-4-14(13-9)10-7(17)6(16)5(3-15)19-
10/h4-7,10-11,15-17H,2-3H2,1H3/b11-8-/t5-,6-,7-,10-/m1/s1

 
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