Back to Search
8-(9-Fluorenylmethoxycarbonylamino)-3,6-Dioxaoctanoic Acid
CAS: 166108-71-0 | C21H23NO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
166108-71-0
Molecular Formula:
C21H23NO6
Molecular Mass:
385.42 g/mol
Names and Synonyms:
8-(9-Fluorenylmethoxycarbonylamino)-3,6-Dioxaoctanoic Acid
3,6,11-Trioxa-9-azadodecanoic acid, 12-(9H-fluoren-9-yl)-10-oxo-
2,7,10-Trioxa-4-azadodecan-12-oic acid, 1-(9H-fluoren-9-yl)-3-oxo-
12-(9H-Fluoren-9-yl)-10-oxo-3,6,11-trioxa-9-azadodecanoic acid
8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid
9-Fluorenylmethoxycarbonyl-8-amino-3,6-dioxaoctanoic acid
8-(Fmoc-amino)-3,6-dioxaoctanoic acid
[2-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
Fmoc-NH-PEG2-CH2COOH
1-(9H-Fluoren-9-yl)-3-oxo-2,7,10-trioxa-4-azadodecan-12-oic acid
Fmoc-aeea
2-[2-[2-(9H-Fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
2-[2-[2-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)ethoxy]ethoxy]acetic acid
Identifiers:
SMILES:
O=C(O)COCCOCCN=C(O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24)
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 | 385.42 g/mol | CAS Common Chemistry |
| 385.41600000000005 g/mol | RDKit | |
| 385.15253745600006 g/mol | RDKit | |
| Canonical SMILES | O=C(O)COCCOCCNC(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C21H23NO6/c23-20(24)14-27-12-11-26-10-9-22-21(25)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,22,25)(H,23,24) | CAS Common Chemistry |
| InChI Key | InChIKey=XQPYRJIMPDBGRW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 8-(9-Fluorenylmethoxycarbonylamino)-3,6-dioxaoctanoic acid | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 97.58000000000001 Ų | RDKit |
| LogP | 2.8473000000000006 | RDKit |
| Molar Refractivity | 103.87760000000004 | RDKit |
