Back to Search
Molecule
N-(Triphenylmethyl)-L-Glutamine
CAS: 102747-84-2 · C24H24N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 102747-84-2
- Molecular Formula
- C24H24N2O3
- Molecular Mass
- 388.47 g/mol
Identifiers
CAS Registry Number
102747-84-2
SMILES
N[C@@H](CCC(O)=NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChI Key
XIFFJPJZPDCOJH-NRFANRHFSA-N
InChI
InChI=1S/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m0/s1
Names and Synonyms
- N-(Triphenylmethyl)-L-Glutamine Common Name
- L-Glutamine, N-(triphenylmethyl)- Synonym
- Glutamine, N-trityl-, L- Synonym
- N-(Triphenylmethyl)-L-glutamine Synonym
- (2S)-2-Amino-5-oxo-5-(tritylamino)pentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 388.47 g/mol | CAS Common Chemistry |
| 388.46700000000016 g/mol | RDKit | |
| 388.467 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N)CCC(=O)NC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XIFFJPJZPDCOJH-NRFANRHFSA-N | CAS Common Chemistry |
| Name | N-(Triphenylmethyl)-L-glutamine | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| 95.91 Ų | RDKit | |
| LogP | 4.127100000000003 | RDKit |
| 4.1271 | RDKit | |
| Molar Refractivity | 114.11700000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 388.1786926279999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 388.47 g/mol. Edit any field — others recompute live.
