3-Ahb-deoxyparomamine
[CAS# 81166-12-3]

Identification

• Name: 3-Ahb-deoxyparomamine
• Synonyms: 4-Amino-N-[5-Amino-4-[3-Amino-5-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[4-[6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butanamide; Carbonic Acid; 4-Amino-N-[5-Amino-4-[[3-Amino-5-Hydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[4-[[6-(Aminomethyl)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-3-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-2-Hydroxycyclohexyl]-2-Hydroxybutanamide; Carbonic Acid; 4-Amino-N-[5-Amino-4-(3-Amino-5-Hydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-3-[4-[6-(Aminomethyl)-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-3-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butyramide; Carbonic Acid
• Molecular Formula: C₅₅H₁₀₄N₁₀O₃₅
• Molecular Weight: 1465.47
• CAS Registry Number: 81166-12-3
• SMILES: C(O)C3OC(OC2C(OC1OC(C(O)CC1N)CO)C(N)CC(NC(=O)C(O)CCN)C2O)C(O)C3OC4OC(C(O)C(O)C4O)CN.C(O)C7OC(OC6C(OC5OC(C(O)CC5N)CO)C(N)CC(NC(=O)C(O)CCN)C6O)C(O)C7OC8OC(C(O)C(O)C8O)CN.O=C(O)O
• InChI: 1S/2C27H51N5O16.CH2O3/c2*28-2-1-11(35)24(42)32-10-3-8(30)21(46-25-9(31)4-12(36)14(6-33)44-25)23(16(10)37)48-27-20(41)22(15(7-34)45-27)47-26-19(40)18(39)17(38)13(5-29)43-26;2-1(3)4/h2*8-23,25-27,33-41H,1-7,28-31H2,(H,32,42);(H2,2,3,4)
• InChIKey: STBAGLBRNSKNNX-UHFFFAOYSA-N

Properties

• Boiling point: 1069°C at 760 mmHg (Cal.)
• Flash point: 600.3°C (Cal.)