Fmoc-Cys((S)-2,3-di(palmitoyloxy)-propyl)-OH - ≥98% , CAS No.139573-78-7

CAS: 139573-78-7 Cat. No.: F937184 Molecular Weight: 894.29 PubChem CID: 11766238

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)OCC(CSCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)CCCCCCCCCCCCCCC
• IUPAC Name: (2R)-3-[(2S)-2,3-di(hexadecanoyloxy)propyl]sulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: HNJKCVLFJLXANK-UCNLINEOSA-N
• INCHI: 1S/C53H83NO8S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37-50(55)60-39-43(62-51(56)38-28-26-24-22-20-18-16-14-12-10-8-6-4-2)41-63-42-49(52(57)58)54-53(59)61-40-48-46-35-31-29-33-44(46)45-34-30-32-36-47(45)48/h29-36,43,48-49H,3-28,37-42H2,1-2H3,(H,54,59)(H,57,58)/t43-,49-/m0/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](CSC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)CCCCCCCCCCCCCCC
• PubChem CID: 11766238
• Molecular Weight: 894.29

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: Cysteine and derivatives Tricarboxylic acids and derivatives Fatty acid esters Carbamate esters Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Cysteine or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Thioether - Dialkylthioether - Sulfenyl compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic 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

• Molecular Weight: 894.300 g/mol
• XLogP3: 17.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 42
• Exact Mass: 893.584 Da
• Monoisotopic Mass: 893.584 Da
• Topological Polar Surface Area: 154.000 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1180.000
• 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