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Fmoc-L-Asparagine
CAS: 71989-16-7 | C19H18N2O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71989-16-7
Molecular Formula:
C19H18N2O5
Molecular Mass:
354.36 g/mol
Names and Synonyms:
Fmoc-L-Asparagine
L-Asparagine, N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-
N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-asparagine
N2-(9-Fluorenylmethoxycarbonyl)asparagine
N-(9-Fluorenylmethoxycarbonyl)asparagine
FMOC-L-asparagine
N-FMOC-L-asparagine
NSC 334297
(2S)-3-Carbamoyl-2-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)propanoic acid
(2S)-4-Amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
Identifiers:
SMILES:
N=C(O)C[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChI:
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1
Key Properties
Melting Point
187-188 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.36 g/mol | CAS Common Chemistry |
| 354.3620000000001 g/mol | RDKit | |
| 354.121571676 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YUGBZNJSGOBFOV-INIZCTEOSA-N | CAS Common Chemistry |
| Melting Point | 187-188 °C | CAS Common Chemistry |
| Name | FMOC-L-asparagine | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 123.2 Ų | RDKit |
| LogP | 3.1080700000000014 | RDKit |
| Molar Refractivity | 96.13310000000007 | RDKit |
