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85409-09-2

85409-09-2 structural image
Product Name: Glycerides, C8-10
Formula: C21H44O7
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 153 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine]

COMPUTED DESCRIPTORS

Molecular Weight 221.21 g/mol
XLogP3 -1.7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 221.08993720 g/mol
Monoisotopic Mass 221.08993720 g/mol
Topological Polar Surface Area 119 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 235
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

Chitin is an aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. It has a role as a vulnerary, a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is an aminoglycan and a N-acylglucosamine.