Basic information
- CAS
60847-76-9- Standard SMILES
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N(C)C)C2OC(=O)c2ccc([N+](=O)[O-])o2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O- InChIKey
WKEYAKSXZNFQEW-UHFFFAOYSA-N- Molecular formula
- C42H68N2O17
- Average molar mass
- 873 g/mol
- Monoisotopic mass
- 872.4517987
Names & identifiers
- Preferred name
- Erythromycin, 2'-(5-nitro-2-furancarboxylate)
- IUPAC
- [4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 5-nitrofuran-2-carboxylate
Names & synonyms
BRN 1420379Erythromycin, 2'-(5-nitro-2-furancarboxylate)60847-76-92-Cladinosyl-5-(2'-O-(5-nitro-2-furoyl))desoaminylerythronolide ARefChem:137797DTXSID201251030Erythromycin, 2a(2)-(5-nitro-2-furancarboxylate)4-(Dimethylamino)-2-({14-ethyl-7,12,13-trihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradecan-6-yl}oxy)-6-methyloxan-3-yl 5-nitrofuran-2-carboxylate
Database identifiers
- CAS
60847-76-9- PubChem CID
- 83992
- DTXSID
DTXSID201251030
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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