1-[(1S,2R,3S,4R)-1,2,3,4,5-Pentahydroxypentyl]-2,3,4,9-Tetrahydro-1H-Pyrido[5,4-b]Indole-3-Carboxylic Acid
[CAS# 154204-09-8]

Identification

• Name: 1-[(1S,2R,3S,4R)-1,2,3,4,5-Pentahydroxypentyl]-2,3,4,9-Tetrahydro-1H-Pyrido[5,4-b]Indole-3-Carboxylic Acid
• Synonyms: 1-[(1S,2R,3S,4R)-1,2,3,4,5-Pentahydroxypentyl]-2,3,4,9-Tetrahydro-1H-$B-Carboline-3-Carboxylic Acid; 1-(1',2',3',4',5'-Pentahydroxypentyl)-1,2,3,-Tetrahydro-2-Carboline-3-Carboxylic Acid; Pentitol, 1-C-(3-Carboxy-2,3,4,9-Tetrahydro-1H-Pyrido(3,4-B)Indol-1-Yl)-
• Molecular Formula: C₁₇H₂₂N₂O₇
• Molecular Weight: 366.37
• CAS Registry Number: 154204-09-8
• SMILES: [C@@H]([C@@H]([C@H](C3C2=C(C1=C(C=CC=C1)[NH]2)CC(N3)C(O)=O)O)O)([C@@H](CO)O)O
• InChI: 1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)/t10?,11-,13?,14+,15+,16+/m1/s1
• InChIKey: LCHFAYIGHOVWSA-LEDUIRAGSA-N

Properties

• Density: 1.588g/cm³ (Cal.)
• Boiling point: 848.926°C at 760 mmHg (Cal.)
• Flash point: 467.214°C (Cal.)