19-Hexyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-16,18-Dimethyl-15-(2-Methylpropyl)-12-Propan-2-Yl-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone
[CAS# 74504-49-7]

Identification

• Name: 19-Hexyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-16,18-Dimethyl-15-(2-Methylpropyl)-12-Propan-2-Yl-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone
• Synonyms: 19-Hexyl-6-(1-Hydroxyethyl)-9-(Hydroxymethyl)-15-Isobutyl-12-Isopropyl-16,18-Dimethyl-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Hexone; 19-Hexyl-6-(1-Hydroxyethyl)-15-Isobutyl-12-Isopropyl-16,18-Dimethyl-9-Methylol-1-Oxa-4,7,10,13,16-Pentazacyclononadecane-2,5,8,11,14,17-Triquinone; Sf-1902A3
• Molecular Formula: C₃₁H₅₅N₅O₉
• Molecular Weight: 641.80
• CAS Registry Number: 74504-49-7
• SMILES: C(C1N(C(=O)C(C(OC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CO)C(O)C)CCCCCC)C)C)C(C)C
• InChI: 1S/C31H55N5O9/c1-9-10-11-12-13-23-19(6)31(44)36(8)22(14-17(2)3)28(41)34-25(18(4)5)30(43)33-21(16-37)27(40)35-26(20(7)38)29(42)32-15-24(39)45-23/h17-23,25-26,37-38H,9-16H2,1-8H3,(H,32,42)(H,33,43)(H,34,41)(H,35,40)
• InChIKey: AYWUZCRVBGTKOG-UHFFFAOYSA-N

Properties

• Density: 1.069g/cm³ (Cal.)
• Boiling point: 985.187°C at 760 mmHg (Cal.)
• Flash point: 549.621°C (Cal.)