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Home > Imidazoles > 10406-89-0
10406-89-0 | 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, 5-oxide, (3aS,4S,5S,6aR)-
CAS No: 10406-89-0 Catalog No: AG007WRY MDL No:
Product Description
Catalog Number:
AG007WRY
Chemical Name:
1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, 5-oxide, (3aS,4S,5S,6aR)-
CAS Number:
10406-89-0
Molecular Formula:
C10H16N2O4S
Molecular Weight:
260.3100
IUPAC Name:
5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
InChI:
InChI=1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1
InChI Key:
KCSKCIQYNAOBNQ-YBSFLMRUSA-N
SMILES:
OC(=O)CCCC[C@@H]1[S@@](=O)C[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
260.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
260.308g/mol
Monoisotopic Mass:
260.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
Literature
| Title | Journal |
|---|---|
| Oxidation of biotin during oligonucleotide synthesis. | Nucleosides, nucleotides & nucleic acids 20050101 |
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