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14289-34-0

14289-34-0 structural image
Product Name: (6S,2S)-Diaminopimelic acid
Formula: C7H14N2O4
Synonyms: (2S,6S)-2,6-Diaminoheptanedioic acid;L,L-α,ε-Diaminopimelic acid;L-threo-2,6-Diaminopimelic acid;L-DAP
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Powder; [Alfa Aesar MSDS]
Melting Point 300 °C
Collision Cross Section 140.02 Ų [M-H]- [CCS Type: DT, Method: stepped-field]
Chemical Classes Nitrogen Compounds -> Amino Carboxylic Acids

COMPUTED DESCRIPTORS

Molecular Weight 190.20 g/mol
XLogP3 -5.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 190.09535693 g/mol
Monoisotopic Mass 190.09535693 g/mol
Topological Polar Surface Area 127 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 175
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

LL-2,6-diaminopimelic acid is a 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a LL-2,6-diaminopimelate(2-). It is a tautomer of a (2S,6S)-2,6-diaminopimelic acid dizwitterion.