Rel-(2R,3S)-2-Amino-1,3-octadecanediol

C₁₈H₃₉NO₂CAS 3102-56-5301.51 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₁₈H₃₉NO₂
Molar mass: 301.51 g/mol
Exact mass: 301.2981 Da
Melting point: 62.5–63 °C
logP: 4.15Crippen estimate
Polar surface area: 66.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 16
Stereocentres: R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3102-56-5

SMILES

CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO

InChIKey

OTKJDMGTUTTYMP-ZVOYONDMNA-N

InChI

InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/s2

Weigh it out

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

Names and synonyms

10 names

1,3-Octadecanediol, 2-amino-, (2R,3S)-rel-
1,3-Octadecanediol, 2-amino-, DL-erythro-
1,3-Octadecanediol, 2-amino-, (R*,S*)-(±)-
1,3-Octadecanediol, 2-amino-, (±)-erythro-
Erythro-DL-Sphinganine
DL-erythro-Dihydrosphingosine
DL-erythro-Sphinganine
C18-Erythro-Sphinganine
Erythro-C18-Sphinganine
1,3-Octadecanediol, 2-amino-, (R*,S*)-

Work with Rel-(2R,3S)-2-Amino-1,3-octadecanediol

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

Phytosphingosine554-62-178 % similar Sphingosine123-78-455 % similar 1,2-Octanediol1117-86-853 % similar 1,2-Decanediol1119-86-453 % similar 1,2-Dodecanediol1119-87-553 % similar 1,2-Tetradecanediol21129-09-953 % similar 1,2-Hexadecanediol6920-24-753 % similar 2-Aminocyclohexanol6850-38-052 % similar

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

Same formula

Ammonium stearate1002-89-7 Tetrabutylammonium acetate10534-59-5

Elsewhere

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