Home Carboxys 3-Piperidinecarboxylic acid, 6-Methyl-, Methyl ester, (3S,6R)-, (2R,3R)-2,3-dihydroxybutanedioate (1

3-Piperidinecarboxylic acid, 6-Methyl-, Methyl ester, (3S,6R)-, (2R,3R)-2,3-dihydroxybutanedioate (1

CAS No.:
1227911-35-4
Catalog Number:
AG009C7W
Molecular Formula:
C12H21NO8
Molecular Weight:
307.2970
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Product Description
Catalog Number:
AG009C7W
Chemical Name:
3-Piperidinecarboxylic acid, 6-Methyl-, Methyl ester, (3S,6R)-, (2R,3R)-2,3-dihydroxybutanedioate (1
CAS Number:
1227911-35-4
Molecular Formula:
C12H21NO8
Molecular Weight:
307.2970
MDL Number:
MFCD22665873
IUPAC Name:
(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (3S,6R)-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)/t6-,7+;1-,2-/m11/s1
InChI Key:
YLXOMGUERJJTAW-SIDHLQFJSA-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:
4  
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:
0
Undefined Bond Stereocenter Count:
0
Properties