Fmoc-L-allo-Thr-OH - ≥98% , CAS No.146306-75-4

CAS: 146306-75-4 Cat. No.: F339084 Molecular Weight: 341.363

GRADE & PURITY ≥98%

Synonyms

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-allothreonine | Fmoc-L-allo-Threonine | N-[(9-Fluorenylmethoxy)carbonyl]-L-allo-threonine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-allothreonine | Fmoc-L-allo-Threonine | N-[(9-Fluorenylmethoxy)carbonyl]-L-allo-threonine

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488195932
• Canonical Smiles: CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
• IUPAC Name: (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
• InChIKey: OYULCCKKLJPNPU-GTNSWQLSSA-N
• INCHI: 1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17-/m0/s1
• Isomeric SMILES: C[C@@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
• Molecular Weight: 341.363
• Reaxy-Rn: 9148139
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9148139&ln=

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 Beta hydroxy acids and derivatives Carbamate esters Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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

• Molecular Weight: 341.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 341.126 Da
• Monoisotopic Mass: 341.126 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 474.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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