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2059909-29-2 | (5R)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl]-2,5-dihydrofuran-2-one
CAS No: 2059909-29-2 Catalog No: AG01BQHH MDL No:MFCD30501455
Product Description
Catalog Number:
AG01BQHH
Chemical Name:
(5R)-3,4-dihydroxy-5-[(1R)-1-hydroxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethyl]-2,5-dihydrofuran-2-one
CAS Number:
2059909-29-2
Molecular Formula:
C10H12N2O5S
Molecular Weight:
272.2777
MDL Number:
MFCD30501455
IUPAC Name:
3,4-dihydroxy-2-[1-hydroxy-2-(1-methylimidazol-2-yl)sulfanylethyl]-2H-furan-5-one
InChI:
InChI=1S/C10H12N2O5S/c1-12-3-2-11-10(12)18-4-5(13)8-6(14)7(15)9(16)17-8/h2-3,5,8,13-15H,4H2,1H3
InChI Key:
JMHRYVTWAPJNCO-UHFFFAOYSA-N
SMILES:
O[C@H]([C@H]1OC(=O)C(=C1O)O)CSc1nccn1C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
272.275g/mol
Monoisotopic Mass:
272.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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