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Molecule
N-(Triphenylmethyl)-L-Asparagine
CAS: 132388-58-0 · C23H22N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132388-58-0
- Molecular Formula
- C23H22N2O3
- Molecular Mass
- 374.44 g/mol
Identifiers
CAS Registry Number
132388-58-0
SMILES
N[C@@H](CC(O)=NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChI Key
BRRPJQYCERAMFI-FQEVSTJZSA-N
InChI
InChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m0/s1
Names and Synonyms
- N-(Triphenylmethyl)-L-Asparagine Common Name
- L-Asparagine, N-(triphenylmethyl)- Synonym
- N-(Triphenylmethyl)-L-asparagine Synonym
- (2S)-2-Amino-4-oxo-4-(tritylamino)butanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 374.44 g/mol | CAS Common Chemistry |
| 374.4400000000001 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CC(=O)NC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BRRPJQYCERAMFI-FQEVSTJZSA-N | CAS Common Chemistry |
| Name | N-(Triphenylmethyl)-L-asparagine | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| 95.91 Ų | RDKit | |
| LogP | 3.737000000000002 | RDKit |
| 3.737 | RDKit | |
| Molar Refractivity | 109.50000000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1304 | RDKit |
| 0.13 | chempirical lib | |
| Exact Mass | 374.1630425639999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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.
External Resources
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MW = 374.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C23H22N2O3.
