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FMOC-D-4-METHOXYPHE structure
FMOC-D-4-METHOXYPHE structure

FMOC-D-4-METHOXYPHE

Iupac Name:(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)propanoic acid
CAS No.:201335-88-8
Molecular Weight:417.461
1. Names and Identifiers
1.1 Name
FMOC-D-4-METHOXYPHE
1.2 Synonyms

Fmoc-4-methoxy-D-phenylalanine FMOC-4-METHOXY-D-PHE-OH FMOC-D-4-METHOXYPHE FMOC-D-PHE(4-OME)-OH FMOC-D-PHE(OME)-OH Fmoc-D-Tyr(Me)-OH FMOC-D-TYROSINE(ME)-OH FMOC-O-METHYL-D-TYROSINE FMOC-P-METHOXY-D-PHE-OME

1.3 CAS No.
201335-88-8
1.4 CID
7019819
1.5 Molecular Formula
C25H23NO5 (isomer)
1.6 Inchi
InChI=1S/C25H23NO5/c1-30-17-12-10-16(11-13-17)14-23(24(27)28)26-25(29)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1
1.7 InChkey
JYQODLWFOPCSCS-HSZRJFAPSA-N
1.8 Canonical Smiles
COC1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
1.9 Isomers Smiles
COC1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
2. Properties
3.1 Density
1.274
3.2 Melting Point
647.8 °C at 760 mmHg
3.3 Boiling Point
647.8°C at 760 mmHg
3.4 Vapour
1.15E-17mmHg at 25°C
3.5 Refractive Index
1.62
3.6 Flash Point
345.6°C
3.7 Chemical Properties
White to off-white powder FMOC-D-4-METHOXYPHESupplier
3.8 Color/Form
White
3.9 pKa
2.97±0.10(Predicted)
3.10 StorageTemp
Store at RT.
3. Use and Manufacturing
4.1 Storage
Keep Cold.
4. Safety and Handling
5.1 HazardClass
IRRITANT
5. 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

6. Computational chemical data
  • Molecular Weight:417.461g/mol
  • Molecular Formula:C25H23NO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.6
  • Exact Mass:417.15762283
  • Monoisotopic Mass:417.15762283
  • Complexity:595
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:84.9
  • Heavy Atom Count:31
  • 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
7. Recommended Suppliers
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Fmoc-D-4-Methoxyphe
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Fmoc-D-4-Methoxyphenylalanine
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FMOC-D-4-METHOXYPHE
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  • Products:Shanghai Hope Chem Co., Ltd. was founded in 2014 with registered capital of RMB 2 million Yuan.
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Fmoc-D-Tyr(Me)-OH
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