4-O-(2-Amino-2-Deoxy-alpha-D-Glucopyranosyl)-5-O-beta-D-Xylofuranosyl-N-[(S)-4-Amino-2-Hydroxybutyryl]-2-Deoxy-D-Streptamine
[CAS# 54333-82-3]

Identification

• Name: 4-O-(2-Amino-2-Deoxy-alpha-D-Glucopyranosyl)-5-O-beta-D-Xylofuranosyl-N-[(S)-4-Amino-2-Hydroxybutyryl]-2-Deoxy-D-Streptamine
• Synonyms: 4-Amino-N-[5-Amino-4-[3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butanamide; 4-Amino-N-[5-Amino-4-[[3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-2-Hydroxycyclohexyl]-2-Hydroxybutanamide; 4-Amino-N-[5-Amino-4-(3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-3-(3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl)Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butyramide
• Molecular Formula: C₂₁H₄₀N₄O₁₃
• Molecular Weight: 556.57
• CAS Registry Number: 54333-82-3 (55528-52-4)
• SMILES: C(C3OC(OC2C(OC1C(C(O)C(C(O1)CO)O)N)C(N)CC(C2O)NC(=O)C(CCN)O)C(C3O)O)O
• InChI: 1S/C21H40N4O13/c22-2-1-8(28)19(34)25-7-3-6(23)17(37-20-11(24)15(32)13(30)9(4-26)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,26-33H,1-5,22-24H2,(H,25,34)
• InChIKey: NRBAPKVHONIXPV-UHFFFAOYSA-N

Properties

• Density: 1.619g/cm³ (Cal.)
• Boiling point: 962.708°C at 760 mmHg (Cal.)
• Flash point: 536.026°C (Cal.)