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Home > Pyridines > 146275-15-2
146275-15-2 | Pyridinium, 1-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)- (9CI)
CAS No: 146275-15-2 Catalog No: AG001DTW MDL No:
Product Description
Catalog Number:
AG001DTW
Chemical Name:
Pyridinium, 1-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-3-(1-methyl-5-oxo-2-pyrrolidinyl)-, inner salt, (S)- (9CI)
CAS Number:
146275-15-2
IUPAC Name:
(2S,3R,4R)-3,4-dihydroxy-2-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
InChI:
InChI=1S/C16H18N2O6/c1-17-10(4-5-13(17)20)9-3-2-6-18(8-9)15-14(21)11(19)7-12(24-15)16(22)23/h2-3,6-8,10-11,14-15,19,21H,4-5H2,1H3/t10-,11+,14+,15-/m0/s1
InChI Key:
DXCAURCQPPWRAO-DRABBMOASA-N
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
334.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.328g/mol
Monoisotopic Mass:
334.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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