Fmoc-L-Aspartimol(OtBu) - ≥97% , CAS No.133565-45-4

CAS: 133565-45-4 Cat. No.: F339095 Molecular Weight: 397.48

GRADE & PURITY ≥97%

Synonyms

DTXSID90454477 | (S)-tert-Butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-hydroxybutanoate | Fmoc-Aspartimol(OBut) | Fmoc-Asparatimol(OtBu) | C72337 | Fmoc-Aspartimol(OtBu) | tert-Butyl (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-hydroxybuta

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DTXSID90454477 | (S)-tert-Butyl 3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-hydroxybutanoate | Fmoc-Aspartimol(OBut) | Fmoc-Asparatimol(OtBu) | C72337 | Fmoc-Aspartimol(OtBu) | tert-Butyl (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-hydroxybuta

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Pubchem Sid: 504765974
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765974
• Canonical Smiles: CC(C)(C)OC(=O)CC(CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: tert-butyl (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
• InChIKey: BSWAVDINBJTJNU-HNNXBMFYSA-N
• INCHI: 1S/C23H27NO5/c1-23(2,3)29-21(26)12-15(13-25)24-22(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,25H,12-14H2,1-3H3,(H,24,27)/t15-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)C[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• Molecular Weight: 397.48
• Reaxy-Rn: 15569110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15569110&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: Fatty acid esters Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Fatty acid ester - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - 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: 397.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 397.189 Da
• Monoisotopic Mass: 397.189 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 550.000
• 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