Fmoc-(S)-3-amino-3-(2,3-dimethoxyphenyl)propionic acid - ≥97% , CAS No.501015-36-7

CAS: 501015-36-7 Cat. No.: F338023 Molecular Weight: 447.48 PubChem CID: 7023357

GRADE & PURITY ≥97%

Synonyms

Fmoc-(S)-3-amino-3-(2,3-dimethoxyphenyl)propionic acid | Fmoc-(S)-3-Amino-3-(2,3-dimethoxy-phenyl)-propionic acid | (3S)-3-(2,3-Dimethoxyphenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid | (3S)-3-(2,3-dimethoxyphenyl)-3-(9H-fluoren-9-ylm

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Fmoc-(S)-3-amino-3-(2, 3-dimethoxyphenyl)propionic acid | Fmoc-(S)-3-Amino-3-(2, 3-dimethoxy-phenyl)-propionic acid | (3S)-3-(2, 3-Dimethoxyphenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid | (3S)-3-(2, 3-dimethoxyphenyl)-3-(9H-fluoren-9-ylm

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196170
• Canonical Smiles: COC1=CC=CC(=C1OC)C(CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• IUPAC Name: (3S)-3-(2,3-dimethoxyphenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
• InChIKey: CNAYAYQWGPUKMH-QFIPXVFZSA-N
• INCHI: 1S/C26H25NO6/c1-31-23-13-7-12-20(25(23)32-2)22(14-24(28)29)27-26(30)33-15-21-18-10-5-3-8-16(18)17-9-4-6-11-19(17)21/h3-13,21-22H,14-15H2,1-2H3,(H,27,30)(H,28,29)/t22-/m0/s1
• Isomeric SMILES: COC1=CC=CC(=C1OC)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• PubChem CID: 7023357
• Molecular Weight: 447.48

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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers 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 - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen 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: 447.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 447.168 Da
• Monoisotopic Mass: 447.168 Da
• Topological Polar Surface Area: 94.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 649.000
• 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