(2S,3R,4E)-3-Hydroxy-2-(Octanoylamino)-4-Octadecen-1-Yl Dihydrogen Phosphate
[CAS# 158983-53-0]

Identification

• Name: (2S,3R,4E)-3-Hydroxy-2-(Octanoylamino)-4-Octadecen-1-Yl Dihydrogen Phosphate
• Synonyms: C-8 Ceramide-1-phosphate; MS/MS-1118318; N-octanoylsphingosine-1-phosphate
• Molecular Formula: C₂₆H₅₂NO₆P
• Molecular Weight: 505.67
• CAS Registry Number: 158983-53-0
• SMILES: O=P(OC[C@H](NC(=O)CCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)(O)O
• InChI: 1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1
• InChIKey: VSSNYUXSRXINIP-WRBRXSDHSA-N

Properties

• Density: 1.051g/cm³ (Cal.)
• Refractive index: 1.491 (Cal.)