(2S,3R,4E)-2-Amino-4-Octadecene-1,3-Diol 1-(Dihydrogen Phosphate)
[CAS# 26993-30-6]

Identification

• Name: (2S,3R,4E)-2-Amino-4-Octadecene-1,3-Diol 1-(Dihydrogen Phosphate)
• Synonyms: [(E,2S,3R)-2-Amino-3-Hydroxyoctadec-4-Enyl] Dihydrogen Phosphate; [(2S,3R)-2-Amino-3-Hydroxy-Octadec-4-Enyl] Dihydrogen Phosphate; [(E,2S,3R)-2-Amino-3-Hydroxy-Octadec-4-Enyl] Dihydrogen Phosphate
• Molecular Formula: C₁₈H₃₈NO₅P
• Molecular Weight: 379.48
• CAS Registry Number: 26993-30-6
• SMILES: [C@@H](N)([C@H](O)\C=C\CCCCCCCCCCCCC)CO[P](=O)(O)O
• 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
• InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N

Properties

• Density: 1.094g/cm³ (Cal.)
• Boiling point: 548.785°C at 760 mmHg (Cal.)
• Flash point: 285.695°C (Cal.)

References

• (1): Sanna et al.. Enhancement of capillary leakage and restoration of lymphocyte egress by a chiral S1P1 antagonist in vivo, Nature Chemical Biology, 2006