Basic information
- CAS
54333-82-3- Standard SMILES
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)C(O)C(O)C2N)C(OC2OC(CO)C(O)C2O)C1O- InChIKey
NRBAPKVHONIXPV-UHFFFAOYSA-N- Molecular formula
- C21H40N4O13
- Average molar mass
- 556.6 g/mol
- Monoisotopic mass
- 556.25918734
Overview
aminoglycoside antibiotic related to butirosins; structure
Names & identifiers
- Preferred name
- Bu-1709El
- IUPAC
- 4-amino-N-[5-amino-4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
- English name
- 4-O-(2-Amino-2-deoxy-α-D-glucopyranosyl)-5-O-β-D-xylofuranosyl-N-[(S)-4-amino-2-hydroxybutyryl]-2-deoxy-D-streptamine
- Molecular formula
- C21H40N4O13
- Molecular weight
- 556.57
Names & synonyms
Bu-1709El54333-82-3Bu 1709ElRefChem:917678Antibiotic Z-1159-155528-52-44-amino-N-[5-amino-4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamideBU-1709E1Bu 1709E1Z-1159-1D-Streptamine, O-2-amino-2-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(beta-D-xylofuranosyl-(1-5))-N(sup 1)-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-Butyl-1709E1
Show more names
Butirosin BU-1709E1Antibiotic BU-1709E14-O-(2-Amino-2-deoxy-α-D-glucopyranosyl)-5-O-β-D-xylofuranosyl-N-[(S)-4-amino-2-hydroxybutyryl]-2-deoxy-D-streptamineD-Streptamine, O-2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)-O-[β-D-xylofuranosyl-(1→5)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)- (9CI)
Butyl-1709E2orb1703729DTXSID50969416Bu 1709E2NSC186890NSC186891AKOS040745570NSC-186890
Properties
Computed structural properties
- XLogP
- -7
- Topological polar surface area
- 306 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 771
Physicochemical properties
- Boiling point
- 962.7 · 962.7±65.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.20(Predicted)
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…