Phalloin
[CAS# 28227-92-1]

Identification

• Name: Phalloin
• Synonyms: Phalloin; Phalloidin, 7-(4-Hydroxy-L-Leucine)-; Phalloidin, 7-(4-Hydroxy-L-Leucine)- (9Ci)
• Molecular Formula: C₃₅H₄₈N₈O₁₀S
• Molecular Weight: 772.87
• CAS Registry Number: 28227-92-1
• SMILES: C1=CC=CC5=C1C4=C(SCC2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C2=O)CC(O)C3)C)C4)CC(O)(C)C)C)C(O)C)[NH]5
• InChI: 1S/C35H48N8O10S/c1-15-27(46)38-22-11-20-19-8-6-7-9-21(19)41-33(20)54-14-24(34(52)43-13-18(45)10-25(43)31(50)37-15)40-32(51)26(17(3)44)42-28(47)16(2)36-30(49)23(39-29(22)48)12-35(4,5)53/h6-9,15-18,22-26,41,44-45,53H,10-14H2,1-5H3,(H,36,49)(H,37,50)(H,38,46)(H,39,48)(H,40,51)(H,42,47)
• InChIKey: VVAHMTWEOWYEHQ-UHFFFAOYSA-N

Properties

• Density: 1.475g/cm³ (Cal.)
• Boiling point: 1314.587°C at 760 mmHg (Cal.)
• Flash point: 748.835°C (Cal.)