(2S,3R,4E)-2-Amino-3-Hydroxy-4-Octadecen-1-Yl Bis[1-(2-Nitrophenyl)Ethyl] Phosphate
[CAS# 207516-11-8]

Identification

• Name: (2S,3R,4E)-2-Amino-3-Hydroxy-4-Octadecen-1-Yl Bis[1-(2-Nitrophenyl)Ethyl] Phosphate
• Synonyms: Caged D-erythro-Sphingosine-1-phosphate
• Molecular Formula: C₃₄H₅₂N₃O₉P
• Molecular Weight: 677.77
• CAS Registry Number: 207516-11-8
• SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC(C)c1ccccc1[N+](=O)[O-])OC(C)c2ccccc2[N+](=O)[O-])N)O
• InChI: 1S/C34H52N3O9P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-25-34(38)31(35)26-44-47(43,45-27(2)29-21-17-19-23-32(29)36(39)40)46-28(3)30-22-18-20-24-33(30)37(41)42/h16-25,27-28,31,34,38H,4-15,26,35H2,1-3H3/b25-16+/t27?,28?,31-,34+,47?/m0/s1
• InChIKey: RMOWUMVOVFOKDL-CORYLZCXSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 759.069°C at 760 mmHg (Cal.)
• Flash point: 412.87°C (Cal.)
• Refractive index: 1.548 (Cal.)