[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate - ≥98% , CAS No.253265-97-3

CAS: 253265-97-3 Cat. No.: A333290 Peso molecular: 271.23 Número EC: 813-811-7

GRADE & PURITY ≥98%

Synonyms

A]furanyl Succinimidyl Carbonate | BCP09451 | 2,5-Dioxopyrrolidin-1-yl((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl)carbonate | [(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3- | 14EY0QM9CE | A877624 | VCFNCYVHQSHFRH-MHYGZLNHSA-N | [(3R,3aS,6aR)-Hydroxyhexahydrofur

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

[(3R,3aS,6aR)-Hydroxyhexahydrofuro[2,3-b]furanyl Succinimidyl Carbonate is an intermediate of Darunavir.

Specifications

Sinónimos

A]furanyl Succinimidyl Carbonate | BCP09451 | 2, 5-Dioxopyrrolidin-1-yl((3R, 3aS, 6aR)-hexahydrofuro[2, 3-b]furan-3-yl)carbonate | [(3R, 3aS, 6aR)-Hydroxyhexahydrofuro[2, 3- | 14EY0QM9CE | A877624 | VCFNCYVHQSHFRH-MHYGZLNHSA-N | [(3R, 3aS, 6aR)-Hydroxyhexahydrofur

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504766135
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766135
• Sonrisas canónicas: C1COC2C1C(CO2)OC(=O)ON3C(=O)CCC3=O
• IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
• InChIKey: VCFNCYVHQSHFRH-MHYGZLNHSA-N
• INCHI: 1S/C11H13NO7/c13-8-1-2-9(14)12(8)19-11(15)18-7-5-17-10-6(7)3-4-16-10/h6-7,10H,1-5H2/t6-,7-,10+/m0/s1
• Isómeros SMILES: C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)ON3C(=O)CCC3=O
• Peso molecular: 271.23
• Reaxy-Rn: 14258994
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14258994&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Furofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furofurans
• Alternative Parents: Pyrrolidine-2-ones Oxolanes Dicarboximides Organic carbonic acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Furofuran - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Oxolane - Pyrrolidine - Carbonic acid derivative - Lactam - Azacycle - Acetal - Carboxylic acid derivative - Oxacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furofurans. These are organic compounds containing a two furan rings fused to each other. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• 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

• Solubilidad: Soluble in Chloroform, Dichloromethane and Ethyl Acetate
• Peso molecular: 271.220 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 271.069 Da
• Monoisotopic Mass: 271.069 Da
• Topological Polar Surface Area: 91.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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