carbamic acid, [(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester, rel- (9ci) - ≥97% , CAS No.205675-68-9

CAS: 205675-68-9 Cat. No.: C175655 Peso molecular: 233.2631

GRADE & PURITY ≥97%

Synonyms

AKOS025291055 | Carbamic acid, N-[(1R,4S)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester | benzyl N-[(1R,4S)-rel-4-hydroxycyclopent-2-en-1-yl]carbamate | carbamic acid,[(1r,4s)-4-hydroxy-2-cyclopenten-1-yl]-,phenylmethyl ester | Benzyl ((1R,4S)-rel-4-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS025291055 | Carbamic acid, N-[(1R, 4S)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester | benzyl N-[(1R, 4S)-rel-4-hydroxycyclopent-2-en-1-yl]carbamate | carbamic acid, [(1r, 4s)-4-hydroxy-2-cyclopenten-1-yl]-, phenylmethyl ester | Benzyl ((1R, 4S)-rel-4-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C(C=CC1O)NC(=O)OCC2=CC=CC=C2
• IUPAC Name: benzyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]carbamate
• InChIKey: QIVSXTSYXODYSG-NWDGAFQWSA-N
• INCHI: 1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-7,11-12,15H,8-9H2,(H,14,16)/t11-,12+/m0/s1
• Isómeros SMILES: C1[C@H](C=C[C@H]1O)NC(=O)OCC2=CC=CC=C2
• Peso molecular: 233.2631
• Reaxy-Rn: 59459238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59459238&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 233.260 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 233.105 Da
• Monoisotopic Mass: 233.105 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 284.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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