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101843-94-1 | 1H-1,2,4-Triazole-3-carboxamide, 1-(2,3,5-tri-O-butyl-β-D-ribofuranosyl)-
CAS No: 101843-94-1 Catalog No: AG0005OQ MDL No:
Product Description
Catalog Number:
AG0005OQ
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 1-(2,3,5-tri-O-butyl-β-D-ribofuranosyl)-
CAS Number:
101843-94-1
Molecular Formula:
C20H36N4O5
Molecular Weight:
412.5236
IUPAC Name:
1-[(2R,3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C20H36N4O5/c1-4-7-10-26-13-15-16(27-11-8-5-2)17(28-12-9-6-3)20(29-15)24-14-22-19(23-24)18(21)25/h14-17,20H,4-13H2,1-3H3,(H2,21,25)/t15-,16-,17-,20-/m1/s1
InChI Key:
PHGTXFGCUSQWBU-WOCWXWTJSA-N
SMILES:
CCCCOC[C@H]1O[C@H]([C@@H]([C@@H]1OCCCC)OCCCC)n1cnc(n1)C(=O)N
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
412.269g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.531g/mol
Monoisotopic Mass:
412.269g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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