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Molecule
Tylosin Tartrate
CAS: 74610-55-2 · C50H83NO23
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74610-55-2
- Molecular Formula
- C50H83NO23
- Molecular Mass
- 1066.20 g/mol
Identifiers
CAS Registry Number
74610-55-2
SMILES
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
ICVKYYINQHWDLM-KBEWXLTPSA-N
InChI
InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1
Names and Synonyms
- Tylosin Tartrate Common Name
- Tylosin, (2R,3R)-2,3-dihydroxybutanedioate (1:1) Synonym
- Tylosin, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt) Synonym
- Tylosin, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt) Synonym
- Oxacyclohexadecane, tylosin deriv. Synonym
- Pharmasin Synonym
- Tylan Injectable Synonym
- Tylan Soluble Synonym
- Tylosin tartrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 1066.20 g/mol | CAS Common Chemistry |
| 1066.1980000000003 g/mol | RDKit | |
| 1066.198 g/mol | RDKit | |
| Canonical SMILES | O=CCC1CC(C(=O)C=CC(=CC(COC2OC(C)C(O)C(OC)C2OC)C(OC(=O)CC(O)C(C)C1OC3OC(C)C(OC4OC(C)C(O)C(O)(C)C4)C(N(C)C)C3O)CC)C)C.O=C(O)C(O)C(O)C(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ICVKYYINQHWDLM-KBEWXLTPSA-N | CAS Common Chemistry |
| Melting Point | 140-146 °C | CAS Common Chemistry |
| Name | Tylosin tartrate | CAS Common Chemistry |
| Heavy Atom Count | 74 | RDKit |
| Hydrogen Bond Acceptors | 22 | RDKit |
| Hydrogen Bond Donors | 9 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 353.73 Ų | RDKit |
| 353.5 Ų | chempirical lib | |
| LogP | -0.2890999999999813 | RDKit |
| -0.2891 | RDKit | |
| Molar Refractivity | 257.62319999999926 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.82 | RDKit |
| Exact Mass | 1065.5355879160004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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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.
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MW = 1066.20 g/mol. Edit any field — others recompute live.
