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Molecule
Faropenem
CAS: 106560-14-9 · C12H15NO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 106560-14-9
- Molecular Formula
- C12H15NO5S
- Molecular Mass
- 285.32 g/mol
Identifiers
CAS Registry Number
106560-14-9
SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12
InChI Key
HGGAKXAHAYOLDJ-FHZUQPTBSA-N
InChI
InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
Names and Synonyms
- Faropenem Synonym
- 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-, (5R,6S)- Synonym
- 4-Thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 6-(1-hydroxyethyl)-7-oxo-3-(tetrahydro-2-furanyl)-, [5R-[3(R*),5α,6α(R*)]]- Synonym
- (5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Synonym
- (+)-(5R,6S)-6-[(1R)-1-Hydroxyethyl]-7-oxo-3-[(2R)-tetrahydro-2-furyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Synonym
- Faropenem Synonym
- (5R,6S,8R,2′R)-2-(2′-tetrahydrofuryl)-6-(1-hydroxyethyl)-2-penem-3-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 285.32 g/mol | CAS Common Chemistry |
| 285.32099999999997 g/mol | RDKit | |
| 285.321 g/mol | RDKit | |
| 285.314 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C1=C(SC2N1C(=O)C2C(O)C)C3OCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HGGAKXAHAYOLDJ-FHZUQPTBSA-N | CAS Common Chemistry |
| Name | Faropenem | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 87.07000000000001 Ų | RDKit |
| 87.07 Ų | RDKit | |
| LogP | 0.3736999999999999 | RDKit |
| 0.3737 | RDKit | |
| Molar Refractivity | 67.03160000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 285.06709358000006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 285.32 g/mol. Edit any field — others recompute live.
