Fmoc-4-amino-tetrahydropyran-4-carboxylic acid - ≥95% , CAS No.285996-72-7

CAS: 285996-72-7 Cat. No.: F183434 Molecular Weight: 367.4 EC Number: 800-463-6

GRADE & PURITY ≥95%

Synonyms

A876685 | Fmoc-4-amino-tetrahydropyran-4-carboxylic acid | SY016384 | 4-(fmoc-amino)-tetrahydropyran-4-carboxylic acid | 4-(FMOC-AMINO)TETRAHYDROPYRAN-4-CARBOXYLIC ACID | FT-0679728 | DS-18095 | 2H-Pyran-4-carboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carb

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A876685 | Fmoc-4-amino-tetrahydropyran-4-carboxylic acid | SY016384 | 4-(fmoc-amino)-tetrahydropyran-4-carboxylic acid | 4-(FMOC-AMINO)TETRAHYDROPYRAN-4-CARBOXYLIC ACID | FT-0679728 | DS-18095 | 2H-Pyran-4-carboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carb

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488192997
• Canonical Smiles: C1COCCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: 4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carboxylic acid
• InChIKey: FBTUQOKQROVXAO-UHFFFAOYSA-N
• INCHI: 1S/C21H21NO5/c23-19(24)21(9-11-26-12-10-21)22-20(25)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
• Isomeric SMILES: C1COCCC1(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Molecular Weight: 367.4
• Reaxy-Rn: 11408049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11408049&ln=

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 Oxanes Carbamate esters Organic carbonic acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Oxane - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen 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

• Molecular Weight: 367.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 367.142 Da
• Monoisotopic Mass: 367.142 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 537.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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