[(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl] 4-Pyren-1-Ylbutyl Hydrogen Phosphate
[CAS# 139143-25-2]

Identification

• Name: [(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl] 4-Pyren-1-Ylbutyl Hydrogen Phosphate
• Synonyms: [(2S,3S,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl] 4-(1-Pyrenyl)Butyl Hydrogen Phosphate; 4-(1-Pyreno)Butylphosphorylinositol; Dl-Myo-Inositol, 1-(4-(1-Pyrenyl)Butyl Hydrogen Phosphate)
• Molecular Formula: C₂₆H₂₉O₉P
• Molecular Weight: 516.48
• CAS Registry Number: 139143-25-2
• SMILES: [C@@H]5(O)C(O[P](OCCCCC1=C4C2=C(C=C1)C=CC3=C2C(=CC=C3)C=C4)(O)=O)[C@@H](O)[C@H](O)C(O)[C@@H]5O
• InChI: 1S/C26H29O9P/c27-21-22(28)24(30)26(25(31)23(21)29)35-36(32,33)34-13-2-1-4-14-7-8-17-10-9-15-5-3-6-16-11-12-18(14)20(17)19(15)16/h3,5-12,21-31H,1-2,4,13H2,(H,32,33)/t21?,22-,23+,24-,25-,26?/m0/s1
• InChIKey: VBIVPQHGEARBEM-CDFZIERKSA-N