12-[2,3-Dihydroxy-2-(Hydroxymethyl)Propyl]-22,23-Dihydroxy-6-(1-Hydroxyethyl)-3-(Hydroxymethyl)-18-Methyl-15-[(2-Methylsulfonyl-1H-Indol-3-Yl)Methyl]-9-Propan-2-Yl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
[CAS# 74113-57-8]

Identification

• Name: 12-[2,3-Dihydroxy-2-(Hydroxymethyl)Propyl]-22,23-Dihydroxy-6-(1-Hydroxyethyl)-3-(Hydroxymethyl)-18-Methyl-15-[(2-Methylsulfonyl-1H-Indol-3-Yl)Methyl]-9-Propan-2-Yl-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
• Synonyms: 12-[2,3-Dihydroxy-2-(Hydroxymethyl)Propyl]-22,23-Dihydroxy-6-(1-Hydroxyethyl)-3-(Hydroxymethyl)-9-Isopropyl-18-Methyl-15-[(2-Methylsulfonyl-1H-Indol-3-Yl)Methyl]-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; 12-(2,3-Dihydroxy-2-Methylol-Propyl)-22,23-Dihydroxy-6-(1-Hydroxyethyl)-9-Isopropyl-15-[(2-Mesyl-1H-Indol-3-Yl)Methyl]-18-Methyl-3-Methylol-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; Viroisin
• Molecular Formula: C₃₈H₅₆N₈O₁₆S
• Molecular Weight: 912.96
• CAS Registry Number: 74113-57-8
• SMILES: C1=CC=CC2=C1C(=C([S](=O)(=O)C)[NH]2)CC3NC(=O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC(O)(CO)CO)C(C)C)C(O)C)CO)CC(O)C4O)C
• InChI: 1S/C38H56N8O16S/c1-16(2)26-33(56)45-27(18(4)50)34(57)42-24(13-47)37(59)46-12-25(51)29(52)28(46)35(58)39-17(3)30(53)40-22(31(54)41-23(32(55)44-26)11-38(60,14-48)15-49)10-20-19-8-6-7-9-21(19)43-36(20)63(5,61)62/h6-9,16-18,22-29,43,47-52,60H,10-15H2,1-5H3,(H,39,58)(H,40,53)(H,41,54)(H,42,57)(H,44,55)(H,45,56)
• InChIKey: JDQNYCQBLILOAN-UHFFFAOYSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 1514.608°C at 760 mmHg (Cal.)
• Flash point: 869.804°C (Cal.)