N-Despropyl Gamithromycin
Basic information
- CAS
145388-07-4- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)NC[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
RECSSHHDKCPKFK-BUSGTJBWNA-N- Molecular formula
- C37H70N2O12
- Average molar mass
- 735 g/mol
- Monoisotopic mass
- 734.49287567
Names & identifiers
- Preferred name
- N-Despropyl Gamithromycin
- IUPAC
- (2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-7-azacyclopentadecan-15-one
- English name
- N-Despropyl GaMithroMycin
- Molecular formula
- C37H70N2O12
- Molecular weight
- 734.97
Names & synonyms
N-Despropyl Gamithromycin145388-07-4(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-11-(((2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-7-azacyclopentadecan-15-one(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-ss-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-oneG9KW86B5MLCHEMBL278801H53701(2R,3S,4R,5S,8R,10R,11R,12S,13S,14R)-13-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-|_-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-11-[[3,4,6-trideoxy-3-(dimethylamino)-|_-D-xylo-hexopyranosyl]oxy]-1-oxa-7-azacyclopentadecan-15-one
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,120
Physicochemical properties
- Boiling point
- 811.9 · 811.9±65.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane, Methyl tert-Butyl Ether
- form
- Oil
- pka
- 13.39 · 13.39±0.70(Predicted)
- color
- Light Yellow
- InChIKey
- RECSSHHDKCPKFK-BUSGTJBWNA-N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesN-Despropyl Gamithromycin is an intermediate used in the preparation of Gamithromycin (G195000) and 8a-aza-8a-homoery thromycin derivatives.
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Compound notes
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