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Molecule
N-(Triphenylmethyl)-L-Serine Methyl Ester
CAS: 4465-44-5 · C23H23NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4465-44-5
- Molecular Formula
- C23H23NO3
- Molecular Mass
- 361.44 g/mol
Identifiers
CAS Registry Number
4465-44-5
SMILES
COC(=O)[C@H](CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
LXAWQKKSNNYYEK-NRFANRHFSA-N
InChI
InChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1
Names and Synonyms
- N-(Triphenylmethyl)-L-Serine Methyl Ester Common Name
- L-Serine, N-(triphenylmethyl)-, methyl ester Synonym
- Serine, N-trityl-, methyl ester, L- Synonym
- N-(Triphenylmethyl)-L-serine methyl ester Synonym
- N-Tritylserine methyl ester Synonym
- N-Trityl-L-serine methyl ester Synonym
- Methyl (2S)-3-hydroxy-2-(tritylamino)propanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.44 g/mol | CAS Common Chemistry |
| 361.4410000000001 g/mol | RDKit | |
| 361.441 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C(NC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)CO | CAS Common Chemistry |
| InChI | InChI=1S/C23H23NO3/c1-27-22(26)21(17-25)24-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24-25H,17H2,1H3/t21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LXAWQKKSNNYYEK-NRFANRHFSA-N | CAS Common Chemistry |
| Melting Point | 125-131 °C | CAS Common Chemistry |
| Name | N-(Triphenylmethyl)-L-serine methyl ester | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 58.56 Ų | RDKit |
| LogP | 3.102000000000001 | RDKit |
| 3.102 | RDKit | |
| Molar Refractivity | 105.23350000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1739 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 361.167793596 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 361.44 g/mol. Edit any field — others recompute live.
