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6205-08-9

6205-08-9 structural image
Product Name: N-ALPHA-ACETYL-L-ORNITHINE
Formula: C7H14N2O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
LogP -0.896
Collision Cross Section 136.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 174.20 g/mol
XLogP3 -4.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 174.10044231 g/mol
Monoisotopic Mass 174.10044231 g/mol
Topological Polar Surface Area 92.4 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 170
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

N(2)-acetyl-L-ornithine is an N(2)-acyl-L-ornithine where the acyl group is specified to be acetyl. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is an acetyl-L-ornithine and a N2-acyl-L-ornithine. It is a tautomer of a N(2)-acetyl-L-ornithine zwitterion.