(2S,3S,4S,5R)-6-[3-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-Trihydroxyoxan-2-Yl]Oxybenzo[b]Pyren-6-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 97287-75-7]

Identification

• Name: (2S,3S,4S,5R)-6-[3-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-Trihydroxyoxan-2-Yl]Oxybenzo[b]Pyren-6-Yl]Oxy-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R)-6-[3-[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxybenzo[B]Pyren-6-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R)-6-[[3-[[(2S,3R,4S,5S,6S)-6-Carboxy-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-6-
• Molecular Formula: C₃₂H₂₈O₁₄
• Molecular Weight: 636.56
• CAS Registry Number: 97287-75-7
• SMILES: [C@H]7(OC5=C3C=CC2=C(C1=CC=CC=C1C4=C2C3=C(C=C4)C=C5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)[C@@H]([C@H]([C@@H]([C@H](O7)C(O)=O)O)O)O
• InChI: 1S/C32H28O14/c33-20-22(35)27(29(39)40)45-31(24(20)37)43-17-10-6-11-5-7-13-12-3-1-2-4-14(12)26(16-9-8-15(17)18(11)19(13)16)44-32-25(38)21(34)23(36)28(46-32)30(41)42/h1-10,20-25,27-28,31-38H,(H,39,40)(H,41,42)/t20-,21-,22-,23-,24+,25+,27-,28-,31+,32?/m0/s1
• InChIKey: XJZJSOOVGHURSS-MOMWAVNLSA-N

Properties

• Density: 1.78g/cm³ (Cal.)
• Boiling point: 1040.905°C at 760 mmHg (Cal.)
• Flash point: 340.529°C (Cal.)