Fmoc-S-(4-Methoxytrityl)-L-cysteine - ≥98%(HPLC), ~ca.11% dioxane , CAS No.177582-21-7

CAS: 177582-21-7 Cat. No.: F167976 Molecular Weight: 615.74 Beilstein Registry Number: 8524560 EC Number: 691-641-0

GRADE & PURITY ≥98%(HPLC), ~ca.11% dioxane

Synonyms

SCHEMBL6273699 | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-[(4-methoxyphenyl)diphenylmethyl]-L-cysteine | FD21241 | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-((4-methoxyphenyl)diphenylmethyl)-L-cysteine | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-met

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL6273699 | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-[(4-methoxyphenyl)diphenylmethyl]-L-cysteine | FD21241 | N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-((4-methoxyphenyl)diphenylmethyl)-L-cysteine | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-met

Specifications & Purity

≥98%(HPLC), ~ca.11% dioxane

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
• IUPAC Name: (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
• InChIKey: LOBUWFUSGOYXQX-DHUJRADRSA-N
• INCHI: 1S/C38H33NO5S/c1-43-29-22-20-28(21-23-29)38(26-12-4-2-5-13-26,27-14-6-3-7-15-27)45-25-35(36(40)41)39-37(42)44-24-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,39,42)(H,40,41)/t35-/m0/s1
• Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
• WGK Germany: 3
• Molecular Weight: 615.74
• Beilstein: 8524560
• Reaxy-Rn: 22918568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22918568&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Fluorenes Cysteine and derivatives Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Carbamate esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenyl compound - Fluorene - Cysteine or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

• Sensitivity: Air sensitive
• Molecular Weight: 615.700 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 615.208 Da
• Monoisotopic Mass: 615.208 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 916.000
• 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