cis-2-(Fmoc-amino)-cyclohexanecarboxylic acid - purum, ≥98%(HPLC) , CAS No.194471-85-7

CAS: 194471-85-7 Cat. No.: C475723 Formula: C₂₂H₂₃NO₄ Peso molecolare: 365.42 Numero EC: 622-545-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

(1S,2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid | cis-2-(Fmoc-amino)-cyclohexanecarboxylic acid | DTXSID40361182 | SCHEMBL800127 | D76771 | Fmoc-(+/-)-cis-2-aminocyclohexane-1-carboxylic acid | (1S,2R)-Fmoc-2-aminocyclohexa

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

(1S,2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)cyclohexanecarboxylic acid | cis-2-(Fmoc-amino)-cyclohexanecarboxylic acid | DTXSID40361182 | SCHEMBL800127 | D76771 | Fmoc-(+/-)-cis-2-aminocyclohexane-1-carboxylic acid | (1S,2R)-Fmoc-2-aminocyclohexa

Specifiche e purezza

purum, ≥98%(HPLC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%(HPLC)

Nomi e identificatori

Sorrisi canonici

C1CCC(C(C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

IUPAC Name

(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

InChIKey

NZMNDTGOODAUNI-AZUAARDMSA-N

INCHI

1S/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20+/m0/s1

Isomeri SMILES

C1CC[C@H]([C@H](C1)C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

WGK Germania

3

Peso molecolare

365.42

Reaxy-Rn

10109983

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10109983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Carbamic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 365.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 365.163 Da
• Monoisotopic Mass: 365.163 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 528.000
• 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