Fmoc-Dab(Alloc)-OH - ≥98% , CAS No.204316-32-5

CAS: 204316-32-5 Cat. No.: F122372 Formula: C₂₃H₂₄N₂O₆ Molecular Weight: 424.45 Beilstein Registry Number: 9360954 EC Number: 189-061-3

GRADE & PURITY ≥98%

Synonyms

A-Fmoc-N- | Na-Fmoc-N?-Alloc-L-2,4-diaminobutyric acid | Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(2-propen-1-yloxy)carbonyl]amino]-, (2S)- | DS-15065 | Fmoc-(N-gamma-allyloxycarbonyl)-L-alpha,gamma-diaminobutyric acid | MFCD00798634

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

A-Fmoc-N- | Na-Fmoc-N?-Alloc-L-2,4-diaminobutyric acid | Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-[[(2-propen-1-yloxy)carbonyl]amino]-, (2S)- | DS-15065 | Fmoc-(N-gamma-allyloxycarbonyl)-L-alpha,gamma-diaminobutyric acid | MFCD00798634

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C=CCOC(=O)NCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(prop-2-enoxycarbonylamino)butanoic acid
• InChIKey: YIVBOSPUFNDYMF-FQEVSTJZSA-N
• INCHI: 1S/C23H24N2O6/c1-2-13-30-22(28)24-12-11-20(21(26)27)25-23(29)31-14-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h2-10,19-20H,1,11-14H2,(H,24,28)(H,25,29)(H,26,27)/t20-/m0/s1
• Isomeric SMILES: C=CCOC(=O)NCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Germany: 3
• Molecular Weight: 424.45
• Beilstein: 9360954

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• x_boil_point_char: 676.7°C at 760 mmHg
• x_melt_point_char: 124 °C
• Molecular Weight: 424.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 424.163 Da
• Monoisotopic Mass: 424.163 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 632.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 204316-32-5, the molecular formula is C23H24N2O6, and the molecular weight is 424.45 g/mol. InChIKey YIVBOSPUFNDYMF-FQEVSTJZSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.