(2R)-1-[(Hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(stearoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate
[CAS# 88587-98-8]

Identification

• Name: (2R)-1-[(Hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-3-(stearoyloxy)-2-propanyl (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate
• Synonyms: 1-Sapit; 1-Stearoyl-2-arachidonoyl phosphatidylinositol; myo-Inositol, 1-(2-((1-oxo-5,8,11,14-eicotetraenyl)oxy)-3-((1-oxooctadecyl)oxy)propyl hydrogen phosphate), (R-(all-Z))-
• Molecular Formula: C₄₇H₈₃O₁₃P
• Molecular Weight: 887.13
• CAS Registry Number: 88587-98-8
• SMILES: O=C(OC[C@@H](OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(OC1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@@H]1O)O)CCCCCCCCCCCCCCCCC
• InChI: 1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,39,42-47,50-54H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,30-28-/t39-,42?,43-,44+,45+,46+,47?/m1/s1
• InChIKey: KRTOMQDUKGRFDJ-BMUGJDDNSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 896.7°C at 760 mmHg (Cal.)
• Flash point: 496.106°C (Cal.)