Fmoc-D-Ser(tBu)-OH - ≥98% , CAS No.128107-47-1

CAS: 128107-47-1 Cat. No.: F116793 Peso molecular: 383.44 Beilstein Registry Number: 5309984 Número EC: 810-913-3

GRADE & PURITY ≥98%

Synonyms

(2R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid | Fmoc-D-Ser(tBu)-OH | M03384 | N-ALPHA-FMOC-O-T-BUTYL-D-SERINE | Fmoc-D-Ser(Bu-t)-OH | HY-W008156 | A26748 | K5W4U4PS9D | MLS001203437 | D-Serine, O-(1,1-dimethylethyl)-N-[(

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

(2R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid | Fmoc-D-Ser(tBu)-OH | M03384 | N-ALPHA-FMOC-O-T-BUTYL-D-SERINE | Fmoc-D-Ser(Bu-t)-OH | HY-W008156 | A26748 | K5W4U4PS9D | MLS001203437 | D-Serine, O-(1, 1-dimethylethyl)-N-[(

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: 504764475
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764475
• Sonrisas canónicas: CC(C)(C)OCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
• InChIKey: REITVGIIZHFVGU-LJQANCHMSA-N
• INCHI: 1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1
• Isómeros SMILES: CC(C)(C)OC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Alemania: 3
• Peso molecular: 383.44
• Beilstein: 5309984
• Reaxy-Rn: 8120907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8120907&ln=

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 Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - 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

• Punto de fusión (°C): 131 °C
• Peso molecular: 383.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 383.173 Da
• Monoisotopic Mass: 383.173 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 536.000
• 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

Referencias

1. Hongliu Xie, Fang Lin, Fei Shi, Elaine Johnstone, Yaqi Wang, Yang An, Jun Su, Jiayin Liu, Qinghai Dong, Jihua Liu.  (2024)  Synthesis, biological evaluation and mechanism study based on network pharmacology of amino acids esters of 20(S)-protopanaxadiol as novel anticancer agents.  FITOTERAPIA,      [PMID:39537112] [10.1016/j.fitote.2024.106274]