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Home > Pyridines > 132929-88-5
132929-88-5 | β-D-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl
CAS No: 132929-88-5 Catalog No: AG0011EL MDL No:
Product Description
Catalog Number:
AG0011EL
Chemical Name:
β-D-Glucopyranosiduronic acid, (3R,5S)-1-methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl
CAS Number:
132929-88-5
Molecular Formula:
C16H20N2O8
Molecular Weight:
368.3386
IUPAC Name:
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R,5S)-1-methyl-2-oxo-5-pyridin-3-ylpyrrolidin-3-yl]oxyoxane-2-carboxylic acid
InChI:
InChI=1S/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)/t8-,9+,10-,11-,12+,13-,16+/m0/s1
InChI Key:
WALNNKZUGHYSCT-MGKNELHOSA-N
SMILES:
OC(=O)[C@H]1O[C@@H](O[C@@H]2C[C@H](N(C2=O)C)c2cccnc2)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
368.122g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
368.342g/mol
Monoisotopic Mass:
368.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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