(2S,3S,4S,5R,6S)-6-[5-(4-Chlorophenyl)-3-propan-2-yliminophenazin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[CAS# 80832-47-9]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[5-(4-Chlorophenyl)-3-propan-2-yliminophenazin-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[5-(4-Chlorophenyl)-3-Isopropylimino-Phenazin-2-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[5-(4-Chlorophenyl)-3-Isopropylimino-2-Phenazinyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5-(4-Chlorophenyl)-3-Propan-2-Ylimino-Phenazin-2-Yl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₇H₂₆ClN₃O₇
• Molecular Weight: 539.97
• CAS Registry Number: 80832-47-9
• SMILES: [C@@H]5(OC2=CC1=NC4=C(N(C1=CC2=NC(C)C)C3=CC=C(Cl)C=C3)C=CC=C4)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O
• InChI: 1S/C27H26ClN3O7/c1-13(2)29-18-11-20-17(12-21(18)37-27-24(34)22(32)23(33)25(38-27)26(35)36)30-16-5-3-4-6-19(16)31(20)15-9-7-14(28)8-10-15/h3-13,22-25,27,32-34H,1-2H3,(H,35,36)/t22-,23-,24+,25-,27+/m0/s1
• InChIKey: BFXFTNXMNRQSRU-GAYSTUHSSA-N

Properties

• Density: 1.538g/cm³ (Cal.)
• Boiling point: 730.031°C at 760 mmHg (Cal.)
• Flash point: 395.309°C (Cal.)