(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-[[2-(1-Hydroxyethyl)-1-Benzofuran-7-Yl]Oxy]-3-(Propan-2-Ylamino)Propan-2-Yl]Oxyoxane-2-Carboxylic Acid
[CAS# 72142-73-5]

Identification

• Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-[[2-(1-Hydroxyethyl)-1-Benzofuran-7-Yl]Oxy]-3-(Propan-2-Ylamino)Propan-2-Yl]Oxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-[[2-(1-Hydroxyethyl)Benzofuran-7-Yl]Oxymethyl]-2-(Isopropylamino)Ethoxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-[[2-(1-Hydroxyethyl)-7-Benzofuranyl]Oxymethyl]-2-(Isopropylamino)Ethoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-[[2-(1-Hydroxyethyl)-1-Benzofuran-7-Yl]Oxy]-3-(Propan-2-Ylamino)Propan-2-Yl]Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₂H₃₁NO₁₀
• Molecular Weight: 469.49
• CAS Registry Number: 72142-73-5
• SMILES: [C@H]3(OC(COC2=C1OC(=CC1=CC=C2)C(C)O)CNC(C)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O3)C(=O)O
• InChI: 1S/C22H31NO10/c1-10(2)23-8-13(31-22-18(27)16(25)17(26)20(33-22)21(28)29)9-30-14-6-4-5-12-7-15(11(3)24)32-19(12)14/h4-7,10-11,13,16-18,20,22-27H,8-9H2,1-3H3,(H,28,29)/t11?,13?,16-,17-,18+,20-,22+/m0/s1
• InChIKey: WEOVSIBZCGHNQQ-OARHJJEASA-N

Properties

• Density: 1.424g/cm³ (Cal.)
• Boiling point: 727.872°C at 760 mmHg (Cal.)
• Flash point: 394.003°C (Cal.)