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Home > Pyridines > 2059910-60-8
2059910-60-8 | (5R)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-(pyridin-2-ylsulfanyl)ethyl]-2,5-dihydrofuran-2-one
CAS No: 2059910-60-8 Catalog No: AG01BQHK MDL No:MFCD30501458
Product Description
Catalog Number:
AG01BQHK
Chemical Name:
(5R)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-(pyridin-2-ylsulfanyl)ethyl]-2,5-dihydrofuran-2-one
CAS Number:
2059910-60-8
Molecular Formula:
C11H11NO5S
Molecular Weight:
269.2737
MDL Number:
MFCD30501458
IUPAC Name:
3,4-dihydroxy-2-(1-hydroxy-2-pyridin-2-ylsulfanylethyl)-2H-furan-5-one
InChI:
InChI=1S/C11H11NO5S/c13-6(5-18-7-3-1-2-4-12-7)10-8(14)9(15)11(16)17-10/h1-4,6,10,13-15H,5H2
InChI Key:
YTSPJTKSAKKOIO-UHFFFAOYSA-N
SMILES:
O[C@H]([C@H]1OC(=O)C(=C1O)O)CSc1ccccn1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.036g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.271g/mol
Monoisotopic Mass:
269.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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