Basic information
- CAS
145414-17-1- 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)N=C2O[C@@]1(C)[C@H](O)[C@H]2C- InChIKey
GULQTHHZACCSIH-ULJZSMOKSA-N- Molecular formula
- C37H66N2O12
- Average molar mass
- 730.9 g/mol
- Monoisotopic mass
- 730.46157554
Names & identifiers
- Preferred name
- 5E4Mwt7T42
- IUPAC
- (3R,5R,6R,7S,8S,9R,12R,13S,14R,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-5,14-dihydroxy-8-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,13,15-hexamethyl-11,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-10-one
- English name
- N-Despropyl GaMithroMycin 10,13-IMino Ether
- Molecular formula
- C37H66N2O12
- Molecular weight
- 730.93
Names & synonyms
145414-17-15E4MWT7T42CHEMBL2368387(3R,5R,6R,7S,8S,9R,12R,13S,14R,15R)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12-ethyl-5,14-dihydroxy-8-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,13,15-hexamethyl-11,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-10-one(3R,5R,6R,7S,8S,9R,12R,13S,14R,15R,Z)-6-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12-ethyl-5,14-dihydroxy-8-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,13,15-hexamethyl-11,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-10-one11,16-Dioxa-2-azabicyclo[11.2.1]hexadec-1-en-10-one, 8-[(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-12-ethyl-5,14-dihydroxy-3,5,7,9,13,15-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-, (1Z,3R,5R,6R,7S,8S,9R,12R,13S,14R,15S)-11,16-Dioxa-2-azabicyclo[11.2.1]hexadec-1-en-10-one, 8-[(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-12-ethyl-5,14-dihydroxy-3,5,7,9,13,15-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-, [3R-(1Z,3R*,5R*,6R*,7S*,8S*,9R*,12R*,13S*,14R*,15S*)]-
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,220
Physicochemical properties
- Boiling point
- 805.4 · 805.4±65.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane, Ethyl Acetate
- form
- Powder
- pka
- 13.02 · 13.02±0.70(Predicted)
- color
- Yellow
Chemistry & industry
Applications
UsesN-Despropyl Gamithromycin 10,13-Imino Ether is used in the preparation of the antibacterial agent Erythromycin A 6,9-Imino Ether (E650015).
Suppliers15 total
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
山东诚创蓝海医药科技有限公司0531-58897130 15508676053 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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