Phallisin
[CAS# 19774-69-7]

Identification

• Name: Phallisin
• Synonyms: Brn 3028749; Phallisin
• Molecular Formula: C₃₅H₄₈N₈O₁₂S
• Molecular Weight: 804.87
• CAS Registry Number: 19774-69-7
• SMILES: C1=CC=CC5=C1C3=C(SCC2C(N4C(C(NC(C(NC(C(NC(CC(O)(CO)CO)C(NC(C(NC(C(N2)=O)C(O)C)=O)C)=O)=O)C3)=O)C)=O)CC(C4)O)=O)[NH]5
• InChI: 1S/C35H48N8O12S/c1-15-27(48)38-22-9-20-19-6-4-5-7-21(19)41-33(20)56-12-24(34(54)43-11-18(47)8-25(43)31(52)37-15)40-32(53)26(17(3)46)42-28(49)16(2)36-30(51)23(39-29(22)50)10-35(55,13-44)14-45/h4-7,15-18,22-26,41,44-47,55H,8-14H2,1-3H3,(H,36,51)(H,37,52)(H,38,48)(H,39,50)(H,40,53)(H,42,49)
• InChIKey: SRDQDZSLNAKOIT-UHFFFAOYSA-N

Properties

• Density: 1.553g/cm³ (Cal.)
• Boiling point: 1444.067°C at 760 mmHg (Cal.)
• Flash point: 827.142°C (Cal.)