Boc-d-dap(z)-oh dcha - ≥95% , CAS No.81306-94-7

CAS: 81306-94-7 Cat. No.: B186730 Summenformel: C₁₆H₂₂N₂O₆.C₁₂H₂₃N Molekulargewicht: 519.7

GRADE & PURITY ≥95%

Synonyms

Boc-D-Dap(Z)-OH . DCHA | 3-benzyloxycarbonylamino-2-tert butoxycarbonylaminopropionic acid dicyclohexylamine salt | FT-0718878 | RPWGTQRQPVPFKR-UHFFFAOYSA-N | Boc-D-Dap(Z)-OH inverted exclamation mark currencyDCHA | 3-benzyloxycarbonylamino-2-tert-butoxy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Boc-D-Dap(Z)-OH . DCHA | 3-benzyloxycarbonylamino-2-tert butoxycarbonylaminopropionic acid dicyclohexylamine salt | FT-0718878 | RPWGTQRQPVPFKR-UHFFFAOYSA-N | Boc-D-Dap(Z)-OH inverted exclamation mark currencyDCHA | 3-benzyloxycarbonylamino-2-tert-butoxy

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC(C)(C)OC(=O)NC(CNC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

IUPAC Name

N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid

InChIKey

RPWGTQRQPVPFKR-UHFFFAOYSA-N

INCHI

1S/C16H22N2O6.C12H23N/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2

Isomere SMILES

CC(C)(C)OC(=O)NC(CNC(=O)OCC1=CC=CC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

Molekulargewicht

519.7

Reaxy-Rn

45638095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45638095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Cyclohexylamines Carbamate esters Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid or derivatives - Benzyloxycarbonyl - Cyclohexylamine - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 519.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 519.331 Da
• Monoisotopic Mass: 519.331 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 556.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3