(R)-3-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2,2-dimethylthiazolidine-4-carboxylic Acid - ≥98% , CAS No.873842-06-9

CAS: 873842-06-9 Cat. No.: R405737 Molecular Weight: 383.46 EC Number: 842-260-5 PubChem CID: 51340511

GRADE & PURITY ≥98%

Synonyms

E70717 | (4R)-Fmoc-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid | AKOS030212445 | Fmoc-l-thz(me2)-oh | (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid | (4R)-Fmoc-2,2-dimethyl-1,3-thiazolidine-4-carboxylicacid |

Storage

Argon charged,Room temperature

Specifications

Synonyms

E70717 | (4R)-Fmoc-2, 2-dimethyl-1, 3-thiazolidine-4-carboxylic acid | AKOS030212445 | Fmoc-l-thz(me2)-oh | (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2, 2-dimethyl-1, 3-thiazolidine-4-carboxylic acid | (4R)-Fmoc-2, 2-dimethyl-1, 3-thiazolidine-4-carboxylicacid |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201487
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201487
• Canonical Smiles: CC1(N(C(CS1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
• IUPAC Name: (4R)-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethyl-1,3-thiazolidine-4-carboxylic acid
• InChIKey: UPFXVBZXMLAMDX-SFHVURJKSA-N
• INCHI: 1S/C21H21NO4S/c1-21(2)22(18(12-27-21)19(23)24)20(25)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17-18H,11-12H2,1-2H3,(H,23,24)/t18-/m0/s1
• Isomeric SMILES: CC1(N([C@@H](CS1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C
• PubChem CID: 51340511
• Molecular Weight: 383.46
• Reaxy-Rn: 26762277

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 Thiazolidines Carbamate esters Tertiary amines Amino acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Thiazolidine - Carbamic acid ester - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Thioether - Hemithioaminal - Organoheterocyclic compound - Dialkylthioether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - 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: Air Sensitive
• Melt Point(°C): 155 °C
• Molecular Weight: 383.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 383.119 Da
• Monoisotopic Mass: 383.119 Da
• Topological Polar Surface Area: 92.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 573.000
• 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