(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(3-hydroxy-6-benzo[b]pyrenyl)oxy]-2-tetrahydropyrancarboxylic acid
[CAS# 97387-24-1]

Identification

• Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(3-hydroxy-6-benzo[b]pyrenyl)oxy]-2-tetrahydropyrancarboxylic acid
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(3-Hydroxybenzo[B]Pyren-6-Yl)Oxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(3-Hydroxy-6-Benzo[B]Pyrenyl)Oxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(3-Hydroxybe
• Molecular Formula: C₂₆H₂₀O₈
• Molecular Weight: 460.44
• CAS Registry Number: 97387-24-1
• SMILES: [C@H]6(OC1=C3C=CC4=C(C=CC5=CC=C(C2=CC=CC=C12)C3=C45)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)C(=O)O
• InChI: 1S/C26H20O8/c27-17-10-6-11-5-7-13-12-3-1-2-4-14(12)23(16-9-8-15(17)18(11)19(13)16)33-26-22(30)20(28)21(29)24(34-26)25(31)32/h1-10,20-22,24,26-30H,(H,31,32)/t20-,21-,22+,24-,26+/m0/s1
• InChIKey: XZAGDEZGFQNXIS-SNYRDRRFSA-N

Properties

• Density: 1.673g/cm³ (Cal.)
• Boiling point: 838.077°C at 760 mmHg (Cal.)
• Flash point: 292.94°C (Cal.)