N-(Carbobenzyloxy)-D-phenylalaninol - ≥97% , CAS No.58917-85-4

CAS: 58917-85-4 Cat. No.: C117144 Peso molecular: 285.34 Beilstein Registry Number: 2221968

GRADE & PURITY ≥97%

Synonyms

Z-D-Phenylalaninol | Z-D-Phenylalaninol, 97% | Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate | (R)-(+)-2-(Benzyloxycarbonylamino)-3-phenyl-1-propanol | (R)-benzyl 1-hydroxy-3-phenylpropan-2-ylcarbamate | DTXSID40974418 | N-Cbz-D-phenylalani

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z-D-Phenylalaninol | Z-D-Phenylalaninol, 97% | Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate | (R)-(+)-2-(Benzyloxycarbonylamino)-3-phenyl-1-propanol | (R)-benzyl 1-hydroxy-3-phenylpropan-2-ylcarbamate | DTXSID40974418 | N-Cbz-D-phenylalani

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488191332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191332
• Sonrisas canónicas: C1=CC=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
• InChIKey: WPOFMMJJCPZPAO-MRXNPFEDSA-N
• INCHI: 1S/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
• Isómeros SMILES: C1=CC=C(C=C1)C[C@H](CO)NC(=O)OCC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 285.34
• Beilstein: 2221968
• Reaxy-Rn: 2221967
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221967&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Benzyloxycarbonyls Carbamate esters Organic carbonic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Amphetamine or derivatives - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Objetivos asociados (humanos)

CTRB1 Tchem Beta-chymotrypsin (261 Activities)

Discover Target: CTRB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Rotación específica [α]: 42 ° (C=2, MeOH)
• Punto de fusión (°C): 92-95°C
• Peso molecular: 285.340 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 285.136 Da
• Monoisotopic Mass: 285.136 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 296.000
• 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