Fmoc-Thr(Bzl)-OH - ≥98% , CAS No.117872-75-0

CAS: 117872-75-0 Cat. No.: F116845 Peso molecular: 431.48 Beilstein Registry Number: 6353662 Número EC: 857-374-0 PubChem CID: 16213170

GRADE & PURITY ≥98%

Synonyms

AM82250 | N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine phenylmethyl ester | (2S,3R)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid | SB22862 | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-benzyl-L-threonine | HY-W008957 | AKOS000

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

AM82250 | N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine phenylmethyl ester | (2S, 3R)-3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid | SB22862 | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-O-benzyl-L-threonine | HY-W008957 | AKOS000

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768215
• Sonrisas canónicas: CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4
• IUPAC Name: (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoic acid
• InChIKey: UCDMMWCWPVCHLL-OSPHWJPCSA-N
• INCHI: 1S/C26H25NO5/c1-17(31-15-18-9-3-2-4-10-18)24(25(28)29)27-26(30)32-16-23-21-13-7-5-11-19(21)20-12-6-8-14-22(20)23/h2-14,17,23-24H,15-16H2,1H3,(H,27,30)(H,28,29)/t17-,24+/m1/s1
• Isómeros SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OCC4=CC=CC=C4
• WGK Alemania: 3
• PubChem CID: 16213170
• Peso molecular: 431.48
• Beilstein: 6353662

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Alpha amino acids and derivatives Benzylethers Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Benzylether - Monocyclic benzene moiety - Carbamic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 431.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 431.173 Da
• Monoisotopic Mass: 431.173 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 612.000
• 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