Fmoc-5-hydroxy-L-tryptophan - ≥95% , CAS No.178119-94-3

CAS: 178119-94-3 Cat. No.: S587703 Summenformel: C₂₆H₂₂N₂O₅ Molekulargewicht: 442.5 EG-Nummer: 852-133-6 PubChem CID: 56924000

GRADE & PURITY ≥95%

Synonyms

AKOS015837210 | DTXSID101189173 | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-hydroxy-L-tryptophan | EN300-6492592 | C26H22N2O5 | BPA85799 | Fmoc-Trp(5-OH)-OH | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid | SCHE

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

AKOS015837210 | DTXSID101189173 | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-hydroxy-L-tryptophan | EN300-6492592 | C26H22N2O5 | BPA85799 | Fmoc-Trp(5-OH)-OH | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid | SCHE

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528764525

Kanonisches Lächeln

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CNC5=C4C=C(C=C5)O)C(=O)O

IUPAC Name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

InChIKey

LORJESUTFPMFAV-DEOSSOPVSA-N

INCHI

1S/C26H22N2O5/c29-16-9-10-23-21(12-16)15(13-27-23)11-24(25(30)31)28-26(32)33-14-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-10,12-13,22,24,27,29H,11,14H2,(H,28,32)(H,30,31)/t24-/m0/s1

Isomere SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O

PubChem CID

56924000

Molekulargewicht

442.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Serotonins Indolyl carboxylic acids and derivatives 3-alkylindoles Hydroxyindoles Alpha amino acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fluorene - Serotonin - Indolyl carboxylic acid derivative - Alpha-amino acid or derivatives - Hydroxyindole - 3-alkylindole - Indole - Indole or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carbamic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 442.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 442.153 Da
• Monoisotopic Mass: 442.153 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 695.000
• 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