1-(2-Methyl-4-Oxo-Pentan-2-Yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6- (Hydroxymethyl)Oxan-2-Yl]Thiourea
[CAS# 81827-18-1]

Identification

• Name: 1-(2-Methyl-4-Oxo-Pentan-2-Yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6- (Hydroxymethyl)Oxan-2-Yl]Thiourea
• Synonyms: 3-(1,1-Dimethyl-3-Oxo-Butyl)-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Thiourea; 3-(1,1-Dimethyl-3-Oxobutyl)-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thiourea; 3-(3-Keto-1,1-Dimethyl-Butyl)-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thiourea
• Molecular Formula: C₁₃H₂₄N₂O₆S
• Molecular Weight: 336.40
• CAS Registry Number: 81827-18-1
• SMILES: [C@H]1(O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)NC(=S)NC(CC(=O)C)(C)C
• InChI: 1S/C13H24N2O6S/c1-6(17)4-13(2,3)15-12(22)14-11-10(20)9(19)8(18)7(5-16)21-11/h7-11,16,18-20H,4-5H2,1-3H3,(H2,14,15,22)/t7-,8+,9+,10-,11-/m1/s1
• InChIKey: MALBDFDVJOANIW-ZKKRXERASA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 545.654°C at 760 mmHg (Cal.)
• Flash point: 283.801°C (Cal.)