1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol
[CAS# 144210-46-8]

Identification

• Name: 1-(2-(4-Aminophenyl)ethyl)amino-1-(hexaglucosyl)deoxyglucitol
• Synonyms: 1-[2-(4-Aminophenyl)Ethylamino]-6-[6-[[6-[[3,5-Dihydroxy-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,5-Dihydroxy-4-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-Hexane-2,3,4,5-Tetrol; 1-[2-(4-Aminophenyl)Ethylamino]-6-[[6-[[6-[[3,5-Dihydroxy-4-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxymethyl]-3,5-Dihydroxy-4-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]Hexane-2,3,4,5-Tetrol; 1-[2-(4-Aminophenyl)Ethylamino]-6-[6-[[6-[[3,5-Dihydroxy-4-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-6-[(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxymethyl]Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxymethyl]-3,5-Dihydroxy-4-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-Hexane-2,3,4,5-Tetrol
• Molecular Formula: C₅₀H₈₄N₂O₃₅
• Molecular Weight: 1273.21
• CAS Registry Number: 144210-46-8
• SMILES: C1=C(C=CC(=C1)CCNCC(C(C(C(COC3C(C(OC2C(C(C(C(O2)CO)O)O)O)C(C(O3)COC4C(C(C(C(O4)COC6C(C(OC5C(C(C(C(O5)CO)O)O)O)C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)N
• InChI: 1S/C50H84N2O35/c51-16-3-1-15(2-4-16)5-6-52-7-17(56)25(58)26(59)18(57)11-76-47-41(74)43(86-49-39(72)34(67)28(61)20(9-54)81-49)31(64)23(84-47)14-78-46-38(71)36(69)30(63)22(83-46)12-79-48-42(75)44(87-50-40(73)35(68)29(62)21(10-55)82-50)32(65)24(85-48)13-77-45-37(70)33(66)27(60)19(8-53)80-45/h1-4,17-50,52-75H,5-14,51H2
• InChIKey: OPOFEFXDLVVYIN-UHFFFAOYSA-N

Properties

• Density: 1.76g/cm³ (Cal.)
• Boiling point: 1546.586°C at 760 mmHg (Cal.)
• Flash point: 889.143°C (Cal.)