Fmoc-(S)-3-thienylglycine - ≥98% , CAS No.1217706-09-6

CAS: 1217706-09-6 Cat. No.: F337530 Molecular Weight: 379.44 PubChem CID: 17750310

GRADE & PURITY ≥98%

Synonyms

1217706-09-6 | AKOS015950107 | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-3-ylacetic acid | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(thiophen-3-yl)aceticacid | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(thiophen-3-yl)ace

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

1217706-09-6 | AKOS015950107 | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-3-ylacetic acid | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(thiophen-3-yl)aceticacid | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(thiophen-3-yl)ace

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768617
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768617
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(C4=CSC=C4)C(=O)O
• IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-thiophen-3-ylacetic acid
• InChIKey: RXQJSFSUCQXAJC-IBGZPJMESA-N
• INCHI: 1S/C21H17NO4S/c23-20(24)19(13-9-10-27-12-13)22-21(25)26-11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,12,18-19H,11H2,(H,22,25)(H,23,24)/t19-/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](C4=CSC=C4)C(=O)O
• PubChem CID: 17750310
• Molecular Weight: 379.44

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 Thiophenes Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Thiophene - Carbamic acid ester - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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

• Sensitivity: Light sensitive
• Molecular Weight: 379.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 379.088 Da
• Monoisotopic Mass: 379.088 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 534.000
• 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