(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol - ≥97% , CAS No.156928-09-5

CAS: 156928-09-5 Cat. No.: R191158 Molecular Weight: 130.14 EC Number: 605-076-4 PubChem CID: 9942150

GRADE & PURITY ≥97%

Synonyms

EN300-257933 | AS,6 | Furo[2,3-b]furan-3-ol,hexahydro-,(3R,3aS,6aR)-rel- | AKOS016843845 | O10090 | rel-(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ol | PB29186 | AS-20043 | EX-A3272 | Q27465119 | RCDXYCHYMULCDZ-HCWXCVPCSA-N | (3R, 3aS, 6aR)-Hexahydrofuro[2,

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

EN300-257933 | AS, 6 | Furo[2, 3-b]furan-3-ol, hexahydro-, (3R, 3aS, 6aR)-rel- | AKOS016843845 | O10090 | rel-(3R, 3aS, 6aR)-Hexahydrofuro[2, 3-b]furan-3-ol | PB29186 | AS-20043 | EX-A3272 | Q27465119 | RCDXYCHYMULCDZ-HCWXCVPCSA-N | (3R, 3aS, 6aR)-Hexahydrofuro[2,

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765127
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765127
• Canonical Smiles: C1COC2C1C(CO2)O
• IUPAC Name: (3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
• InChIKey: RCDXYCHYMULCDZ-HCWXCVPCSA-N
• INCHI: 1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m0/s1
• Isomeric SMILES: C1CO[C@H]2[C@@H]1[C@H](CO2)O
• PubChem CID: 9942150
• Molecular Weight: 130.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furofurans
• Alternative Parents: Oxolanes Secondary alcohols Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Furofuran - Oxolane - Secondary alcohol - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 130.139 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 115.000
• 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