Fmoc-(S)-3-amino-3-(4-hydroxyphenyl)propionic acid - ≥97% , CAS No.501015-33-4

CAS: 501015-33-4 Cat. No.: F348781 Molecular Weight: 403.43 EC Number: 876-770-4 PubChem CID: 7023351

GRADE & PURITY ≥97%

Synonyms

(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxyphenyl)propanoic acid | fmoc-(s)-3-amino-3-(4-hydroxyphenyl)propanoic acid | DTXSID601136062 | FMOC-L-BETA-TYR-OH | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic ac

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxyphenyl)propanoic acid | fmoc-(s)-3-amino-3-(4-hydroxyphenyl)propanoic acid | DTXSID601136062 | FMOC-L-BETA-TYR-OH | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic ac

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764677
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764677
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=C(C=C4)O
• IUPAC Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoic acid
• InChIKey: VJELJMCALKYCRN-QFIPXVFZSA-N
• INCHI: 1S/C24H21NO5/c26-16-11-9-15(10-12-16)22(13-23(27)28)25-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,26H,13-14H2,(H,25,29)(H,27,28)/t22-/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=C(C=C4)O
• PubChem CID: 7023351
• Molecular Weight: 403.43

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: Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - 3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - 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

• Refractive Index: n20D1.65 (Predicted)
• Specific Rotation[α]: α20D-40°±2°, c = 1 in DMF
• Boil Point(°C): 664.99° C at 760 mmHg (Predicted)
• Melt Point(°C): 165-171° C
• Molecular Weight: 403.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 403.142 Da
• Monoisotopic Mass: 403.142 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 580.000
• 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