(3S,4R,5R)-3-Amino-4-Hydroxy-3-(Hydroxymethyl)-5-[(E)-10-Oxohexadec-2-Enyl]Oxolan-2-One
[CAS# 35891-69-1]

Identification

• Name: (3S,4R,5R)-3-Amino-4-Hydroxy-3-(Hydroxymethyl)-5-[(E)-10-Oxohexadec-2-Enyl]Oxolan-2-One
• Synonyms: (3S,4R,5R)-3-Amino-4-Hydroxy-3-(Hydroxymethyl)-5-[(E)-10-Oxohexadec-2-Enyl]Tetrahydrofuran-2-One; (3S,4R,5R)-3-Amino-4-Hydroxy-3-(Hydroxymethyl)-5-[(E)-10-Oxohexadec-2-Enyl]-2-Tetrahydrofuranone; (3S,4R,5R)-3-Amino-4-Hydroxy-5-[(E)-10-Ketohexadec-2-Enyl]-3-Methylol-Tetrahydrofuran-2-One
• Molecular Formula: C₂₁H₃₇NO₅
• Molecular Weight: 383.53
• CAS Registry Number: 35891-69-1
• SMILES: [C@@]1(N)([C@@H](O)[C@H](OC1=O)C\C=C\CCCCCCC(=O)CCCCCC)CO
• InChI: 1S/C21H37NO5/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18-19(25)21(22,16-23)20(26)27-18/h9,12,18-19,23,25H,2-8,10-11,13-16,22H2,1H3/b12-9+/t18-,19+,21+/m1/s1
• InChIKey: SWRBTIXRGZAKBN-GNTQXERDSA-N

Properties

• Density: 1.074g/cm³ (Cal.)
• Boiling point: 591.802°C at 760 mmHg (Cal.)
• Flash point: 311.711°C (Cal.)