Fmoc-(R)-3-amino-3-(4-nitrophenyl)propionic acid - ≥98% , CAS No.507472-26-6

CAS: 507472-26-6 Cat. No.: F338004 Molecular Weight: 432.43 EC Number: 801-076-5

GRADE & PURITY ≥98%

Synonyms

Fmoc-R-3-Amino-3-(4-nitrophenyl)propionic acid | AKOS015948849 | (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-nitrophenyl)propanoic acid | EN300-312405 | Fmoc-(R)-3-amino-3-(4-nitro-phenyl)-propionic acid, AldrichCPR | (3R)-3-(9H-fluoren-9-ylmet

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Fmoc-R-3-Amino-3-(4-nitrophenyl)propionic acid | AKOS015948849 | (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-nitrophenyl)propanoic acid | EN300-312405 | Fmoc-(R)-3-amino-3-(4-nitro-phenyl)-propionic acid, AldrichCPR | (3R)-3-(9H-fluoren-9-ylmet

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488193261
• Canonical Smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]
• IUPAC Name: (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid
• InChIKey: ODIITDVCGARGIW-JOCHJYFZSA-N
• INCHI: 1S/C24H20N2O6/c27-23(28)13-22(15-9-11-16(12-10-15)26(30)31)25-24(29)32-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,25,29)(H,27,28)/t22-/m1/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)[N+](=O)[O-]
• Molecular Weight: 432.43
• Reaxy-Rn: 14470141
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14470141&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 Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - 3-phenylpropanoic-acid - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Carbamic acid ester - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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

• 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: 664.000
• 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