Prohydrojasmon racemate - 10mM in DMSO , CAS No.158474-72-7

CAS: 158474-72-7 Cat. No.: P421898 Fórmula: C₁₅H₂₆O₃ Peso molecular: 254.37 Número CE: 605-149-0 PubChem CID: 11184378

GRADE & PURITY 10mM in DMSO

Synonyms

SCHEMBL3245957 | PROPYL 2-(3-OXO-2-PENTYLCYCLOPENTYL)ACETATE | Prohydrojasmon racemate | Propyl (3-oxo-2-pentylcyclopentyl)acetate | IPDFPNNPBMREIF-UHFFFAOYSA-N | DTXSID30870056 | Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester | AS-69767 | Prohydr

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Prohydrojasmon racemate (n-Propyl dihydrojasmonate) is the racemate of Prohydrojasmon. Prohydrojasmon is a synthesized plant growth regulator

Specifications

Sinónimos

SCHEMBL3245957 | PROPYL 2-(3-OXO-2-PENTYLCYCLOPENTYL)ACETATE | Prohydrojasmon racemate | Propyl (3-oxo-2-pentylcyclopentyl)acetate | IPDFPNNPBMREIF-UHFFFAOYSA-N | DTXSID30870056 | Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester | AS-69767 | Prohydr

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

3.673

Ligação rotativa

9

Nomes e identificadores

Pubchem Sid

528775400

Sorrisos canónicos

CCCCCC1C(CCC1=O)CC(=O)OCCC

IUPAC Name

propyl 2-(3-oxo-2-pentylcyclopentyl)acetate

InChIKey

IPDFPNNPBMREIF-UHFFFAOYSA-N

INCHI

1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3

SMILES isoméricas

CCCCCC1C(CCC1=O)CC(=O)OCCC

PubChem CID

11184378

Peso molecular

254.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Lineolic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Lineolic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Jasmonic acids
• Alternative Parents: Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Jasmonic acid - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid 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

Propriedades químicas e físicas

• Peso molecular: 254.360 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 254.188 Da
• Monoisotopic Mass: 254.188 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1