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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediates>Organic Intermediate
Fmoc-D-phenylalanine structure
Fmoc-D-phenylalanine structure

Fmoc-D-phenylalanine

Iupac Name:(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
CAS No.: 86123-10-6
Molecular Weight:387.435
Modify Date.: 2022-11-07 01:15
Introduction: White powder View more+
1. Names and Identifiers
1.1 Name
Fmoc-D-phenylalanine
1.2 Synonyms

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-phenylpropanoic acid FMOC-D-PHENYLALANINE extrapure Fmoc-D-Phe-OH FMoc-D-Phe-OH FMoc-D-Phenylalanine N-(9-Fluorenylmethoxycarbonyl)-D-phenylalanine N-fluorenylmethoxycarbonyl-D-phenylalanine N-Fmoc-D-phenylalanine N-Fmoc-D-phenylalanineFmoc-D-Phe-OH

1.3 CAS No.
86123-10-6
1.4 CID
978332
1.5 Molecular Formula
C24H21NO4 (isomer)
1.6 Inchi
InChI=1S/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
1.7 InChkey
SJVFAHZPLIXNDH-JOCHJYFZSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
1.9 Isomers Smiles
C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
2. Properties
2.1 Density
1.276
2.1 Melting point
181-185 oC
2.1 Boiling point
620.1 °C at 760 mmHg
2.1 Refractive index
38 ° (C=1, DMF)
2.1 Flash Point
328.8 °C
2.1 Precise Quality
387.14700
2.1 PSA
75.63000
2.1 logP
4.61190
2.1 Appearance
white powder
2.2 Storage
Keep Cold.
2.3 Chemical Properties
White powder Fmoc-D-phenylalanineSupplier
2.4 Color/Form
White
2.5 pKa
3.77±0.10(Predicted)
2.6 StorageTemp
2-8°C
3. Safety and Handling
3.1 Safety Statements
S22;S24/25
3.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

7. Computational chemical data
  • Molecular Weight: 387.435g/mol
  • Molecular Formula: C24H21NO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: 4.6
  • Exact Mass: 387.14705815
  • Monoisotopic Mass: 387.14705815
  • Complexity: 551
  • Rotatable Bond Count: 7
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 75.6
  • Heavy Atom Count: 29
  • 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: AAADceB6OAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGABUAAAHgAQCAAADSjhmAYwCILABgCIAiDSGAACAAAgAAAIiIGIAIkKIDKAkTGMYAAk1gEYiAeYyPCOgAAAAAAQAAAAAAAAACAAAQAACAAAAA==
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