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119567-63-4

119567-63-4 structural image
Product Name: D-ERYTHRO-SPHINGOSINE, N,N-DIMETHYL-
Formula: C20H41NO2
Synonyms: DMS;N,N-Dimethylsphingosine;Dimethylsphingosine;DMS, SK Inhibitor III, Sphingosine Kinase Inhibitor III;N,N-dimethyl-D-erythro-sphingosine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 327.5 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 16
Exact Mass 327.313729551 g/mol
Monoisotopic Mass 327.313729551 g/mol
Topological Polar Surface Area 43.7 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 266
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,N-dimethylsphingosine is a sphingoid that is sphingosine in which the two amino hydrogens are replaced by methyl groups. It has a role as a metabolite and an EC 2.7.1.91 (sphingosine kinase) inhibitor. It is an aminodiol, a sphingoid and a tertiary amino compound. It is functionally related to a sphingosine. It is a conjugate base of a N,N-dimethylsphingosine(1+).