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Erythromycin Ethyl Succinate
CAS: 1264-62-6 | C43H75NO16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1264-62-6
Molecular Formula:
C43H75NO16
Molecular Mass:
862.06 g/mol
Names and Synonyms:
Erythromycin Ethyl Succinate
Erythromycin, 2′-(ethyl butanedioate)
Erythromycin, mono(ethyl succinate) (ester)
Erythromycin ethyl succinate
Erythromycin, 2′-(ethyl succinate)
Succinic acid, ethyl ester, monoester with erythromycin
Oxacyclotetradecane, erythromycin deriv.
Erythrocin ethyl succinate
Pediamycin
Erythroped
Evesin
Eritrocina
Esinol
EryPed
Paediathrocin
Erythro ES
Wyamycin E
Sigapedil
Durapaediat
Eryliquid
EES
Arpimycin
Erythro-Holz
Refkas
Anamycin
E-Mycin e
Monomycin
Identifiers:
SMILES:
CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
InChI:
InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1
Key Properties
Melting Point
109-110 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 862.06 g/mol | CAS Common Chemistry |
| 862.064 g/mol | RDKit | |
| 861.5085853200001 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC)CCC(=O)OC1C(OC(C)CC1N(C)C)OC2C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC2(O)C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C43H75NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h22-29,32,34-38,40,48-49,51-52H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,32+,34+,35-,36-,37+,38-,40+,41-,42-,43-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NSYZCCDSJNWWJL-YXOIYICCSA-N | CAS Common Chemistry |
| Melting Point | 109-110 °C | CAS Common Chemistry |
| Name | Erythromycin ethyl succinate | CAS Common Chemistry |
| Heavy Atom Count | 60 | RDKit |
| Hydrogen Bond Acceptors | 17 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 226.27999999999997 Ų | RDKit |
| LogP | 2.6798000000000073 | RDKit |
| Molar Refractivity | 215.99819999999917 | RDKit |
