Home Carboxys (3R,6S)-methyl 6-methylpiperidine-3-carboxylate (2R,3R)-2,3-dihydroxysuccinate

(3R,6S)-methyl 6-methylpiperidine-3-carboxylate (2R,3R)-2,3-dihydroxysuccinate

CAS No.:
2070009-48-0
Catalog Number:
AG01CCUT
Molecular Formula:
C12H21NO8
Molecular Weight:
307.2970
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Product Description
Catalog Number:
AG01CCUT
Chemical Name:
(3R,6S)-methyl 6-methylpiperidine-3-carboxylate (2R,3R)-2,3-dihydroxysuccinate
CAS Number:
2070009-48-0
Molecular Formula:
C12H21NO8
Molecular Weight:
307.2970
MDL Number:
MFCD22665874
IUPAC Name:
2,3-dihydroxybutanedioic acid;methyl 6-methylpiperidine-3-carboxylate
InChI:
InChI=1S/C8H15NO2.C4H6O6/c1-6-3-4-7(5-9-6)8(10)11-2;5-1(3(7)8)2(6)4(9)10/h6-7,9H,3-5H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)
InChI Key:
YLXOMGUERJJTAW-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]([C@H](C(=O)O)O)O.COC(=O)[C@@H]1CC[C@@H](NC1)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.127g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
307.299g/mol
Monoisotopic Mass:
307.127g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
Properties