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N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-L-Serine Phenylmethyl Ester
CAS: 73724-46-6 | C25H23NO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
73724-46-6
Molecular Formula:
C25H23NO5
Molecular Mass:
417.46 g/mol
Names and Synonyms:
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-L-Serine Phenylmethyl Ester
L-Serine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, phenylmethyl ester
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine phenylmethyl ester
Fmoc-L-serine benzyl ester
Fmoc-Ser-OBn
N-Fmoc-L-serine benzyl ester
(S)-Benzyl 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxypropanoate
Identifiers:
SMILES:
O=C(OCc1ccccc1)[C@H](CO)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C25H23NO5/c27-14-23(24(28)30-15-17-8-2-1-3-9-17)26-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23,27H,14-16H2,(H,26,29)/t23-/m0/s1
Key Properties
Melting Point
98-100 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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 | 417.46 g/mol | CAS Common Chemistry |
| 417.46100000000007 g/mol | RDKit | |
| 417.15762283600003 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)OCC=4C=CC=CC4)CO | CAS Common Chemistry |
| InChI | InChI=1S/C25H23NO5/c27-14-23(24(28)30-15-17-8-2-1-3-9-17)26-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23,27H,14-16H2,(H,26,29)/t23-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GXJVEJVEJKIXCH-QHCPKHFHSA-N | CAS Common Chemistry |
| Melting Point | 98-100 °C | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-serine phenylmethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 88.35000000000001 Ų | RDKit |
| LogP | 3.8338000000000028 | RDKit |
| Molar Refractivity | 116.84860000000002 | RDKit |
