Fmoc-(S)-3-amino-3-(2-nitrophenyl)propionic acid - ≥98% , CAS No.507472-25-5

CAS: 507472-25-5 Cat. No.: F338000 Molecular Weight: 432.43

GRADE & PURITY ≥98%

Synonyms

Fmoc-(S)-3-amino-3-(2-nitrophenyl)propionic acid | Fmoc-(S)-3-Amino-3-(2-nitro-phenyl)-propionic acid | MFCD03428007 | SCHEMBL18281179 | (3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-nitrophenyl)propanoic acid | AS-68380 | N-Fmoc-2-nitro-D-beta-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Fmoc-(S)-3-amino-3-(2-nitrophenyl)propionic acid | Fmoc-(S)-3-Amino-3-(2-nitro-phenyl)-propionic acid | MFCD03428007 | SCHEMBL18281179 | (3S)-3-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-nitrophenyl)propanoic acid | AS-68380 | N-Fmoc-2-nitro-D-beta-

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764689
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764689
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=CC=C4[N+](=O)[O-]
• IUPAC Name: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid
• InChIKey: DRESTDPDCGPKNI-NRFANRHFSA-N
• INCHI: 1S/C24H20N2O6/c27-23(28)13-21(19-11-5-6-12-22(19)26(30)31)25-24(29)32-14-20-17-9-3-1-7-15(17)16-8-2-4-10-18(16)20/h1-12,20-21H,13-14H2,(H,25,29)(H,27,28)/t21-/m0/s1
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=CC=CC=C4[N+](=O)[O-]
• Molecular Weight: 432.43
• Reaxy-Rn: 9731046
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9731046&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: Phenylpropanoic acids Nitrobenzenes Nitroaromatic compounds Carbamate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - 3-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Carbamic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic cation - 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

• Solubility: Slightly soluble in water.
• Melt Point(°C): 154-156° C
• Molecular Weight: 432.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 432.132 Da
• Monoisotopic Mass: 432.132 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 672.000
• 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