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Molecule
N2-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-(Triphenylmethyl)-L-Glutamine
CAS: 132327-80-1 · C39H34N2O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 132327-80-1
- Molecular Formula
- C39H34N2O5
- Molecular Mass
- 610.71 g/mol
Identifiers
CAS Registry Number
132327-80-1
SMILES
O=C(O)[C@H](CCC(O)=NC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI Key
WDGICUODAOGOMO-DHUJRADRSA-N
InChI
InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1
Names and Synonyms
- N2-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-(Triphenylmethyl)-L-Glutamine Systematic Name
- L-Glutamine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)- Synonym
- N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine Synonym
- FMOC-Gln(Trt)-OH Synonym
- Fmoc-L-Gln (Trt)-OH Synonym
- Fmoc-L-Gln(Trt)-OH Synonym
- (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(tritylamino)pentanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 610.71 g/mol | CAS Common Chemistry |
| 610.7100000000002 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCC(=O)NC(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C39H34N2O5/c42-36(41-39(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29)25-24-35(37(43)44)40-38(45)46-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34/h1-23,34-35H,24-26H2,(H,40,45)(H,41,42)(H,43,44)/t35-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WDGICUODAOGOMO-DHUJRADRSA-N | CAS Common Chemistry |
| Name | N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 111.71000000000001 Ų | RDKit |
| 111.71 Ų | RDKit | |
| LogP | 7.911500000000007 | RDKit |
| 7.9115 | RDKit | |
| Molar Refractivity | 179.66639999999956 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1538 | RDKit |
| 0.15 | chempirical lib | |
| Exact Mass | 610.246772188 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
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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 = 610.71 g/mol. Edit any field — others recompute live.
