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2304-80-5

2304-80-5 structural image
Product Name: C18 Dihydroceramide
Formula: C36H73NO3
Synonyms: N-stearoyl-D-erythro-sphinganine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 262 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

COMPUTED DESCRIPTORS

Molecular Weight 568.0 g/mol
XLogP3 14.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 33
Exact Mass 567.55904519 g/mol
Monoisotopic Mass 567.55904519 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 498
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

N-octodecanoylsphinganine is a dihydroceramide in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl). It has a role as a mouse metabolite. It is a N-acylsphinganine and a N-stearoyl-sphingoid base. It is functionally related to an octadecanoic acid.