Fmoc-O-t-butyl-L-beta-homohydroxy-proline - ≥95% , CAS No.957509-29-4

CAS: 957509-29-4 Cat. No.: F337547 Molecular Weight: 423.51 PubChem CID: 16211059

GRADE & PURITY ≥95%

Synonyms

2-Pyrrolidineaceticacid,4-(1,1-dimethylethoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-,(2S,4R)- | Fmoc-L-beta-Homohyp(tBu)-OH | Fmoc-O-tert-butyl-L-beta-homohydroxyproline | 2-[(2S,4R)-4-(tert-butoxy)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl]ac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-Pyrrolidineaceticacid, 4-(1, 1-dimethylethoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (2S, 4R)- | Fmoc-L-beta-Homohyp(tBu)-OH | Fmoc-O-tert-butyl-L-beta-homohydroxyproline | 2-[(2S, 4R)-4-(tert-butoxy)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}pyrrolidin-2-yl]ac

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768086
• Canonical Smiles: CC(C)(C)OC1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
• IUPAC Name: 2-[(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]acetic acid
• InChIKey: OHWTZEARHIOFMA-DLBZAZTESA-N
• INCHI: 1S/C25H29NO5/c1-25(2,3)31-17-12-16(13-23(27)28)26(14-17)24(29)30-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,16-17,22H,12-15H2,1-3H3,(H,27,28)/t16-,17+/m0/s1
• Isomeric SMILES: CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
• PubChem CID: 16211059
• Molecular Weight: 423.51

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: Pyrrolidine carboxylic acids Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic 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

• Melt Point(°C): 145-147 °C
• Molecular Weight: 423.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 423.205 Da
• Monoisotopic Mass: 423.205 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 637.000
• 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