Basic information
- CAS
83071-96-9- Standard SMILES
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1CC(N)C(O)C(CO)O1.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1CC(N)C(O)C(CO)O1.O=C(O)O- InChIKey
GXLIAVWTSGUGBV-UHFFFAOYSA-N- Molecular formula
- C45H90N12O25
- Average molar mass
- 1,199.3 g/mol
- Monoisotopic mass
- 1,198.6140064
Overview
RN given refers to carbonate salt
Names & identifiers
- Preferred name
- 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B
- IUPAC
- bis(4-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide);carbonic acid
- English name
- 1-N-((S)-4-amino-2-hydroxybutyryl)-2''-deoxykanamycin B
- Molecular formula
- C45H90N12O25
- Molecular weight
- 1199.2615
Names & synonyms
Ahbd-kanamycin B83071-96-91-N-((S)-4-Amino-2-hydroxybutyryl)-2''-deoxykanamycin BD-Streptamine, O-3-amino-2,3-dideoxy-alpha-D-arabino-hexopyranosyl-(1-6)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, carbonate (2:1) (salt)RefChem:76433SCHEMBL29380672DTXSID3010031054-amino-N-[5-amino-4-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-[4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxybutanamide;carbonic acid4-Amino-N-{5-amino-2-[(3-amino-2,3-dideoxyhexopyranosyl)oxy]-4-[(2,6-diamino-2,6-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid--carbonic acid (2/1)D-Streptamine, O-3-amino-2,3-dideoxy-α-D-arabino-hexopyranosyl-(1→6)-O-[2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl-(1→4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-, carbonate (2:1) (salt)
Database identifiers
- CAS
83071-96-9
Properties
Computed structural properties
- Topological polar surface area
- 693 Ų
- Hydrogen bond donors
- 26
- Hydrogen bond acceptors
- 35
- Rotatable bonds
- 20
- Heavy atoms
- 82
- Formal charge
- 0
- Complexity
- 815
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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