(2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
[CAS# 37244-85-2]

Identification

• Name: (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Synonyms: Sodium; 3-Acetamido-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoate; 3-Acetamido-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; Sodium; 3-Acetamido-5-[(2-Hydroxyethylamino)-Oxomethyl]-2,4,6-Triiodobenzoate
• Molecular Formula: C₃₁H₃₈I₆N₅NaO₁₅
• Molecular Weight: 1505.08
• CAS Registry Number: 37244-85-2
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C(NC(=O)C1=C(I)C(=C(I)C(=C1I)C([O-])=O)NC(=O)C)CO.C(NC(=O)C2=C(I)C(=C(I)C(=C2I)C(=O)O)NC(=O)C)CO.[Na+]
• InChI: 1S/2C12H11I3N2O5.C7H17NO5.Na/c2*1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;1-8-2-4(10)6(12)7(13)5(11)3-9;/h2*18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);4-13H,2-3H2,1H3;/q;;;+1/p-1/t;;4-,5+,6+,7+;/m..0./s1
• InChIKey: SMVJWDFLIRHQBE-RZNNTOFGSA-M

Properties

• Boiling point: 582.8°C at 760 mmHg (Cal.)
• Flash point: 306.3°C (Cal.)