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2304-81-6

2304-81-6 structural image
Product Name: C18 CERAMIDE
Formula: C36H71NO3
Synonyms: C18 Ceramide (d18:1/18:0);C18-Ceramide;Cer(d18:1/18:0);N-stearoyl-D-erythro-sphingosine;(2S,3R,4E)-2-(Stearoylamino)-4-octadecene-1,3-diol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Solubility Insoluble
Collision Cross Section 249.53 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] 257.65 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] 260.36 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids]
Chemical Classes Lipids -> Sphingolipids

COMPUTED DESCRIPTORS

Molecular Weight 566.0 g/mol
XLogP3 13.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 32
Exact Mass 565.54339513 g/mol
Monoisotopic Mass 565.54339513 g/mol
Topological Polar Surface Area 69.6 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 536
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

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