4-[[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Amino]Benzoic Acid
[CAS# 72150-99-3]

Identification

• Name: 4-[[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Amino]Benzoic Acid
• Synonyms: 4-[[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]Benzoic Acid; 4-[[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]Benzoic Acid; 4-[[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Amino]Benzoic Acid
• Molecular Formula: C₁₃H₁₇NO₇
• Molecular Weight: 299.28
• CAS Registry Number: 72150-99-3
• SMILES: [C@H]2(C(NC1=CC=C(C(=O)O)C=C1)O[C@@H]([C@H]([C@@H]2O)O)CO)O
• InChI: 1S/C13H17NO7/c15-5-8-9(16)10(17)11(18)12(21-8)14-7-3-1-6(2-4-7)13(19)20/h1-4,8-12,14-18H,5H2,(H,19,20)/t8-,9-,10+,11+,12?/m1/s1
• InChIKey: VXMVXDITZWJXJN-IKQSSVLVSA-N

Properties

• Density: 1.622g/cm³ (Cal.)
• Boiling point: 626.006°C at 760 mmHg (Cal.)
• Flash point: 332.397°C (Cal.)