chempirical

Dimethylsphingosine

C20H41NO2CAS 119567-63-4327.55 g/mol

Open in Covalent MOL file
OHHON
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C20H41NO2
Molar mass
327.55 g/mol
Exact mass
327.3137 Da
logP
4.53Crippen estimate
Polar surface area
43.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
16
Stereocentres
R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
119567-63-4
SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C
InChIKey
YRXOQXUDKDCXME-YIVRLKKSSA-N
InChI
InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 4-Octadecene-1,3-diol, 2-(dimethylamino)-, (2S,3R,4E)-
  • 4-Octadecene-1,3-diol, 2-(dimethylamino)-, [R-[R*,S*-(E)]]-
  • (2S,3R,4E)-2-(Dimethylamino)-4-octadecene-1,3-diol
  • N,N-Dimethylsphingosine
  • N,N-Dimethyl-D-erythro-sphingosine
  • D-Erythro-N,N-Dimethylsphingosine
  • N,N-Dimethylsphinogsine

Work with Dimethylsphingosine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sphingosine123-78-461 % similar C8-Ceramide74713-59-051 % similar Sphingosine-1-phosphate26993-30-643 % similar Oleyl alcohol143-28-241 % similar trans-2-Nonen-1-ol31502-14-441 % similar 1,2-Octanediol1117-86-840 % similar 1,2-Decanediol1119-86-440 % similar 1,2-Dodecanediol1119-87-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Stearoylethanolamide111-57-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook