Sphingosine-1-phosphate

C18H38NO5PCAS 26993-30-6379.48 g/mol

Open in Covalent MOL file
OHNH2OPOOHOH
AlcoholAlkenePhosphatePrimary amine

Properties

Molecular formula
C18H38NO5P
Molar mass
379.48 g/mol
Exact mass
379.2488 Da
Melting point
above 200 °C
logP
4.04Crippen estimate
Polar surface area
113.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
17
Stereocentres
R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26993-30-6
SMILES
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O
InChIKey
DUYSYHSSBDVJSM-KRWOKUGFSA-N
InChI
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (2S,3R,4E)-
  • 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), (E)-D-erythro-
  • 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen phosphate), [R-[R*,S*-(E)]]-
  • Sphingosine 1-phosphate
  • D-Erythro-Sphingosine-1-phosphate
  • C18-Sphingosine 1-phosphate
  • S1P
  • Proteins, S1P
  • S1P Protein

Work with Sphingosine-1-phosphate

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 Lauryl phosphate2627-35-247 % similar Sphingomyelins85187-10-645 % similar Dimethylsphingosine119567-63-443 % similar Oleyl alcohol phosphate37310-83-142 % similar C8-Ceramide74713-59-039 % similar N-Stearoylsphingomyelin58909-84-539 % similar Dodecenylsuccinic anhydride25377-73-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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