FMOC-PRO-ONP

1. Names and Identifiers

1.2 Synonyms: 1-(9H-fluoren-9-yl)methyl 2-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate; 1-(9H-Fluoren-9-ylmethyl) 2-(4-nitrophenyl) (2S)-1,2-pyrrolidinedicarboxylate; 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) 2-(4-nitrophenyl) ester, (2S)-; 1,2-Pyrrolidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) 2-(4-nitrophenyl) ester, (S)-; 1-O-(9H-Fluoren-9-ylmethyl) 2-O-(4-nitrophenyl) (2S)-pyrrolidine-1,2-dicarboxylate; FMOC-L-PROLINE 4-NITROPHENYL ESTER; FMOC-PROLINE-ONP; FMOC-PRO-ONP; FMOC-PRO-ONP USP/EP/BP; N-ALPHA-FMOC-L-PROLINE P-NITROPHENYL ESTER;

1.6 Inchi: InChI=1S/C26H22N2O6/c29-25(34-18-13-11-17(12-14-18)28(31)32)24-10-5-15-27(24)26(30)33-16-23-21-8-3-1-6-19(21)20-7-2-4-9-22(20)23/h1-4,6-9,11-14,23-24H,5,10,15-16H2/t24-/m0/s1

1.8 Canonical Smiles: C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

1.9 Isomers Smiles: C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC5=CC=C(C=C5)[N+](=O)[O-]

2. Properties

3. Use and Manufacturing

4. MSDS

no data available

no data available

5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Synthesis Route

71989-32-7Total: 1 Synthesis Route

100-02-7

71989-31-6 246 Suppliers

71989-32-7 9 Suppliers

7. Precursor and Product

precursor:

71989-31-6

8. Computed Properties

Molecular Weight：458.47g/mol
Molecular Formula：C₂₆H₂₂N₂O₆
Compound Is Canonicalized：True
Exact Mass：5.1
XLogP3-AA：458.14778643
Monoisotopic Mass：458.14778643
Complexity：739
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：102
Heavy Atom Count：：34
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB7OAAAAAAAAAAAAAAAAAAAAeIAAAAwYMAAAAAAAGABUAAAHgAEAAAADSzhmAYwzoMQRACJAiTSWwCCCAAgIgAoiAGObIoOJjKEsbuPOiDkxhGY6Ae40fIOgEAAAAAQAAAAgAAAACAAAQAACAAAAA==