Basic information
- CAS
131791-18-9- 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)(OC)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
JWASSTNIBKXPNV-SZZIPPHSSA-N- Molecular formula
- C38H71NO13
- Average molar mass
- 750 g/mol
- Monoisotopic mass
- 749.49254132
Overview
structure given in first source
Names & identifiers
- Preferred name
- 9-Dihydroclarithromycin
- IUPAC
- (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
- English name
- 9-dihydroclarithromycin
- Molecular formula
- C38H71NO13
- Molecular weight
- 749.96924
Names & synonyms
9-Dihydroclarithromycin131791-18-9DTXSID40157209RefChem:107875DTXCID6079700(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-10,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-oneSCHEMBL13681698Erythromycin, 9-deoxo-9-hydroxy-6-D-methyl-, (9S)-(3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLOXAN-2-YL]OXY}-14-ETHYL-10,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLOXAN-2-YL]OXY}-7-METHOXY-3,5,7,9,11,13-HEXAMETHYL-1-OXACYCLOTETRADECAN-2-ONEErythromycin, 9-deoxo-9-hydroxy-6-O-methyl-, (9S)-
Database identifiers
- CAS
131791-18-9- PubChem CID
- 3034232
- DTXSID
DTXSID40157209
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Boiling point
- 806.5 · 806.5±65.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…