Boc-Orn(Fmoc)-OH - ≥99% , CAS No.150828-96-9

CAS: 150828-96-9 Cat. No.: B116723 Molecular Weight: 454.52 Beilstein Registry Number: 8091167 EC Number: 967-905-9

GRADE & PURITY ≥99%

Synonyms

Boc-Orn(Fmoc)-OH|150828-96-9|(S)-5-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)pentanoic acid|N-Alpha-T-butyloxycarbonyl-N-gamma-(9-fluorenylmethyloxycarbonyl)-L-ornithine|(2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-me

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Boc-Orn(Fmoc)-OH | 150828-96-9 | (S)-5-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)pentanoic acid | N-Alpha-T-butyloxycarbonyl-N-gamma-(9-fluorenylmethyloxycarbonyl)-L-ornithine | (2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-me

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199093
• Canonical Smiles: CC(C)(C)OC(=O)NC(CCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
• IUPAC Name: (2S)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
• InChIKey: YEBWACZYMHWWEK-NRFANRHFSA-N
• INCHI: 1S/C25H30N2O6/c1-25(2,3)33-24(31)27-21(22(28)29)13-8-14-26-23(30)32-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-21H,8,13-15H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)/t21-/m0/s1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
• WGK Germany: 3
• Molecular Weight: 454.52
• Beilstein: 8091167
• Reaxy-Rn: 23777398
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23777398&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: Alpha amino acids and derivatives Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Alpha-amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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

• Melt Point(°C): 150-154°C
• Molecular Weight: 454.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 454.21 Da
• Monoisotopic Mass: 454.21 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 669.000
• 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