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68858-20-8 structure

N-alpha-FMOC-L-valine

Iupac Name:(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CAS No.:68858-20-8
EINECS(EC#): 272-515-0
Molecular Weight:339.38504
Molecular Formula:C20H21NO4 (isomer)
1. Names and Identifiers
1.1 Synonyms

(((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methylbutanoic acid (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid (2S)-2-[(fluoren-9-ylmethoxy)carbonylamino]-3-methylbutanoic acid (S)-2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)-3-METHYLBUTANOIC ACID (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanoic acid (S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butyric acid (S)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]valine 125700-35-8 68858-20-8 858F208 9-Fluorenylmethyloxycarbonyl-L-valine AB0007239 AB01588 AC-24054 ACT08597 AKOS010397808 AKOS015924209 AM82369 ANW-35554 BP-10148 BR-46044 CHEMBL560019 CS-W009099 CTK2F2958 F0299 Fmoc-L-valine Fmoc-L-Val-OH FMOC-VALINE FMOC-Val-OH Fmoc-Val-OH, >=98.0% (HPLC) J-300298 KS-00000NKG KSC352S5R L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]- L-Valine, N-FMOC protected M03378 M-1152 MCULE-4270691909 MFCD00037124 N-(9-Fluorenylmethoxycarbonyl)-L-valine N-(9-Fluorenylmethoxycarbonyl)-L-valine-15N N-(9H-Fluorene-9-ylmethoxycarbonyl)valine N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-valine N-[(9H-Fluoren-9-ylmethoxy)carbonyl]valine # N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-L-VALINE N-alpha-FMOC-L-VALINE N-Fmoc-L-valine PubChem10058 SBB028607 SCHEMBL120703 ST50307346 STR09734 ZINC56906

1.2 Inchi
InChI=1/C20H21NO4/c1-12(2)18(19(22)23)21-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)
1.3 InChkey
UGNIYGNGCNXHTR-SFHVURJKSA-N
1.4 Canonical Smiles
CC(C)C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
1.5 Isomers Smiles
CC(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
2. 3D Conformer
3. Properties
3.1 Appearance
White to off-white crystalline powder
3.2 Density
1.229
3.3 Melting Point
143-147℃
3.4 Boiling Point
551.8 °C at 760 mmHg
3.5 Refractive Index
-17.5 ° (C=1, DMF)
3.6 Flash Point
287.5 °C
3.7 Alpha
-16 o (C=1,DMF)
3.8 Stability
Stable under normal temperatures and pressures.
3.8 Stability
3.9 HS Code
2924299090
3.10 Storage temp
2-8°C
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S22;S26;S36/37/39
4.4 Transport
OTH
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

8. Precursor and Product
9. Computational chemical data
  • Molecular Weight:339.38504g/mol
  • Molecular Formula:C20H21NO4
  • Exact Mass:339.147058
  • Monoisotopic Mass:339.147058
  • Complexity:470
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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