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Home > Other Heterocycles > 189633-62-3
189633-62-3 | 6-Oxa-1,3-diazaspiro[4.5]decan-4-one, 8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-, (5S,7R,8R,9S,10R)-
CAS No: 189633-62-3 Catalog No: AG002DUA MDL No:
Product Description
Catalog Number:
AG002DUA
Chemical Name:
6-Oxa-1,3-diazaspiro[4.5]decan-4-one, 8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-, (5S,7R,8R,9S,10R)-
CAS Number:
189633-62-3
Molecular Formula:
C8H12N2O6S
Molecular Weight:
264.2557
IUPAC Name:
8,9,10-trihydroxy-7-(hydroxymethyl)-2-sulfanylidene-6-oxa-1,3-diazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)
InChI Key:
OEWLGQKSTDZKFN-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@@H]([C@H]([C@H]1O)O)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
264.252g/mol
Monoisotopic Mass:
264.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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