6'''-Deamino-6'''-hydroxyneomycin B
Basic information
- CAS
78524-73-9- Standard SMILES
NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N)C2O)C(N)C(O)C1O- InChIKey
LJQMKWFPBUGQOO-UHFFFAOYSA-N- Molecular formula
- C23H45N5O14
- Average molar mass
- 615.6 g/mol
- Monoisotopic mass
- 615.29630113
Overview
structure given in first source
Names & identifiers
- Preferred name
- 6'''-Deamino-6'''-hydroxyneomycin B
- IUPAC
- 5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
- English name
- 6'''-deamino-6'''-hydroxyneomycin B
- Molecular formula
- C23H45N5O14
- Molecular weight
- 615.6285
Names & synonyms
78524-73-96'''-Deamino-6'''-hydroxyneomycin BDEHMBRefChem:1036066'''-Deamino-6'''-hydroxyneomycin B dihydrate5-amino-2-(aminomethyl)-6-[4,6-diamino-2-[4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diolNeomycin Impurity 12DTXSID20999821D-Streptamine, O-2-amino-2-deoxy-beta-L-idopyranosyl-(1-3)-O-beta-D-ribofuranosyl-(1-5)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4))-2-deoxy-, (R-(E))-D-Streptamine, O-2-amino-2-deoxy-beta-L-idopyranosyl-(1-3)-O-beta-D-ribofuranosyl-(1-5)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1-4)-2-deoxy-, dihydrate4,6-Diamino-2-{[3-O-(2-amino-2-deoxyhexopyranosyl)pentofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxyhexopyranoside6-Deamino-6-hydroxyneomycin
Database identifiers
- CAS
78524-73-9- PubChem CID
- 197220
- DTXSID
DTXSID20999821
Properties
Computed structural properties
- XLogP
- -8.7
- Topological polar surface area
- 347 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 870
Chemistry & industry
Applications
Uses6"'-Deamino-6"'-hydroxyneomycin B is an aminoglycosyl antibiotic that can be produced by Streptomyces fradiae UC 75 and is active against both Gram-positive and Gram-negative bacteria. 6"'-Deamino-6"'-hydroxyneomycin B can be used as an intermediate in the biosynthesis of neomycin[1][2].
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Compound notes
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