Rioprostil , CAS No.77287-05-9

CAS: 77287-05-9 Cat. No.: R668914 Formule: C₂₁H₃₈O₄ Poids moléculaire: 354.5 PubChem CID: 5311413

Synonyms

RIOPROSTIL | TR-4698 | ORF 15927 | ORF-15927 | RWJ 15927 | RWJ-15927 | 7JL402PVQR | (2R,3R,4R)-4-Hydroxy-2-(7-hydroxyheptyl)-3-((E)-(4RS)-(4-hydroxy-4-methyl-1-octenyl))cyclopentanone | Rioprostilum [Latin] | Rioprostilo [Spanish] | Rioprostilo | Rioprost

Storage

Room temperature

Specifications

Synonymes

RIOPROSTIL | TR-4698 | ORF 15927 | ORF-15927 | RWJ 15927 | RWJ-15927 | 7JL402PVQR | (2R,3R,4R)-4-Hydroxy-2-(7-hydroxyheptyl)-3-((E)-(4RS)-(4-hydroxy-4-methyl-1-octenyl))cyclopentanone | Rioprostilum [Latin] | Rioprostilo [Spanish] | Rioprostilo | Rioprost

Conditions de stockage de stockage

Room temperature

Propriétés du produit

ALogP

3.5

Noms et identifiants

Sourires canoniques

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCCO)O)O

IUPAC Name

(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(E)-4-hydroxy-4-methyloct-1-enyl]cyclopentan-1-one

InChIKey

SPOAFZKFCYREMW-FWYLUGOYSA-N

INCHI

1S/C21H38O4/c1-3-4-13-21(2,25)14-10-12-18-17(19(23)16-20(18)24)11-8-6-5-7-9-15-22/h10,12,17-18,20,22,24-25H,3-9,11,13-16H2,1-2H3/b12-10+/t17-,18-,20-,21?/m1/s1

Isomères SMILES

CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCCO)O)O

PubChem CID

5311413

Poids moléculaire

354.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Cyclopentanols Tertiary alcohols Cyclic ketones Cyclic alcohols and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Fatty alcohol - Cyclopentanol - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Secondary alcohol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 354.500 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 354.277 Da
• Monoisotopic Mass: 354.277 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1