chempirical

Sphingosine

C18H37NO2CAS 123-78-4299.50 g/mol

Open in Covalent MOL file
OHNH2OH
AlcoholAlkenePrimary amine

Properties

Molecular formula
C18H37NO2
Molar mass
299.50 g/mol
Exact mass
299.2824 Da
Melting point
67 °C
logP
3.92Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
15
Stereocentres
R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
123-78-4
SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO
InChIKey
WWUZIQQURGPMPG-KRWOKUGFSA-N
InChI
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • 4-Octadecene-1,3-diol, 2-amino-, (2S,3R,4E)-
  • 4-Octadecene-1,3-diol, 2-amino-, (E)-D-erythro-
  • 4-Octadecene-1,3-diol, 2-amino-, [R-[R*,S*-(E)]]-
  • (2S,3R,4E)-2-Amino-4-octadecene-1,3-diol
  • Erythrosphingosine
  • D-Erythro-Sphingosine
  • Erythro-C18-Sphingosine
  • C18-Sphingosine
  • 4-Sphingenine
  • Sphingenine
  • D-Sphingosine
  • Erythro-4-Sphingenine
  • D-(+)-Erythro-4-trans-Sphingenine
  • 4-trans-Sphingenine
  • trans-4-Sphingenine
  • D-Erythro-C18-Sphingosine
  • (4E)-Sphingenine
  • (-)-D-Erythro-Sphingosine
  • (2S,3R)-Sphingosine
  • (-)-Sphingosine

Work with Sphingosine

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

Sphingosine-1-phosphate26993-30-661 % similar Dimethylsphingosine119567-63-461 % similar Rel-(2R,3S)-2-amino-1,3-octadecanediol3102-56-555 % similar C8-Ceramide74713-59-053 % similar Phytosphingosine554-62-151 % similar Oleyl alcohol143-28-247 % similar (Z)-4-Decen-1-ol57074-37-044 % similar Linoleyl alcohol506-43-444 % similar

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

Same formula

18-Aminooctadecanoic acid17437-24-0 Palmitoylethanolamide544-31-0

Elsewhere

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