Erythromycin, 2'-((5-nitro-2-furyl)acrylate)
Basic information
- CAS
60847-77-0- 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)/C=C/c2ccc([N+](=O)[O-])o2)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O- InChIKey
CBMQECIFWTWWFI-FBMGVBCBSA-N- Molecular formula
- C44H70N2O17
- Average molar mass
- 899 g/mol
- Monoisotopic mass
- 898.46744877
Names & identifiers
- Preferred name
- Erythromycin, 2'-((5-nitro-2-furyl)acrylate)
- 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] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
Names & synonyms
Erythromycin, 2'-((5-nitro-2-furyl)acrylate)60847-77-0RefChem:1084242BRN 14204213-Cladinosyl-5-(2'-O-(5-nitro-2-furyl)acryloyl)desosaminylerythronolide AErythromycin, 2'-(3-(5-nitro-2-furanyl)-2-propenoate)
Database identifiers
- CAS
60847-77-0- PubChem CID
- 6436403
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 259 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,610
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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