beta-D-Glucopyranuronic acid, 1-(3-amino-alpha-ethyl-2,4,6-triiodobenzenepropanoate)
[CAS# 58051-18-6]

Identification

• Name: beta-D-Glucopyranuronic acid, 1-(3-amino-alpha-ethyl-2,4,6-triiodobenzenepropanoate)
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-[(3-Amino-2,4,6-Triiodo-Phenyl)Methyl]Butanoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-[(3-Amino-2,4,6-Triiodophenyl)Methyl]-1-Oxobutoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[2-(3-Amino-2,4,6-Triiodo-Benzyl)Butanoyloxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₁₇H₂₀I₃NO₈
• Molecular Weight: 747.06
• CAS Registry Number: 58051-18-6
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC(=O)C(CC2=C(I)C=C(I)C(=C2I)N)CC
• InChI: 1S/C17H20I3NO8/c1-2-5(3-6-7(18)4-8(19)10(21)9(6)20)16(27)29-17-13(24)11(22)12(23)14(28-17)15(25)26/h4-5,11-14,17,22-24H,2-3,21H2,1H3,(H,25,26)/t5?,11-,12-,13+,14-,17-/m0/s1
• InChIKey: UGUPACZOZNCKIV-JUXRMKITSA-N

Properties

• Density: 2.393g/cm³ (Cal.)
• Boiling point: 740.391°C at 760 mmHg (Cal.)
• Flash point: 401.574°C (Cal.)