Fmoc-N-methyl-D-valine - ≥98% , CAS No.103478-58-6

CAS: 103478-58-6 Cat. No.: F117125 Molecular Weight: 353.41 Beilstein Registry Number: 7350401 EC Number: 889-799-2

GRADE & PURITY ≥98%

Synonyms

AC-31986 | fmoc-d-n-me-val-oh | AKOS015908469 | (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid | N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-D-valine | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AC-31986 | fmoc-d-n-me-val-oh | AKOS015908469 | (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid | N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-D-valine | (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methy

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488199184
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199184
• Canonical Smiles: CC(C)C(C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid
• InChIKey: YCXXXPZNQXXRIG-LJQANCHMSA-N
• INCHI: 1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m1/s1
• Isomeric SMILES: CC(C)[C@H](C(=O)O)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• WGK Germany: 3
• Molecular Weight: 353.41
• Beilstein: 7350401
• Reaxy-Rn: 43369299
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43369299&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: Valine 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 - Valine or derivatives - Alpha-amino acid or derivatives - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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: 353.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 353.163 Da
• Monoisotopic Mass: 353.163 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 498.000
• 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