(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one - ≥98% , CAS No.55094-52-5

CAS: 55094-52-5 Cat. No.: R193885 Molecular Weight: 418.48 EC Number: 851-368-1 PubChem CID: 11004289

GRADE & PURITY ≥98%

Synonyms

(3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)-methyl)dihydrofuran-2(3H)-one | (3R,4R,5R)-3,4-Bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one | W10947 | W-203078 | A870283 | MFCD08703966 | (3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(3R, 4R, 5R)-3, 4-Bis(benzyloxy)-5-((benzyloxy)-methyl)dihydrofuran-2(3H)-one | (3R, 4R, 5R)-3, 4-Bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one | W10947 | W-203078 | A870283 | MFCD08703966 | (3R, 4R, 5R)-3, 4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504765869
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765869
• Canonical Smiles: C1=CC=C(C=C1)COCC2C(C(C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• IUPAC Name: (3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-one
• InChIKey: LDHBSABBBAUMCZ-UBFVSLLYSA-N
• INCHI: 1S/C26H26O5/c27-26-25(30-18-22-14-8-3-9-15-22)24(29-17-21-12-6-2-7-13-21)23(31-26)19-28-16-20-10-4-1-5-11-20/h1-15,23-25H,16-19H2/t23-,24-,25-/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H](C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• PubChem CID: 11004289
• Molecular Weight: 418.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Pentoses
• Alternative Parents: Benzylethers Gamma butyrolactones Oxolanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pentose monosaccharide - Benzylether - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Lactone - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Melt Point(°C): 53 °C
• Molecular Weight: 418.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 418.178 Da
• Monoisotopic Mass: 418.178 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 520.000
• 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

References

1. Zheng Chen, Jianguo Zhang, Chenyang Dong, Dongsheng Li, Yuehan Yin, Wenhai Yu, Yuezhi Chen.  (2021)  TNFAIP8 regulates gastric cancer growth via mTOR-Akt-ULK1 pathway and autophagy signals.  JOURNAL OF CELLULAR AND MOLECULAR MEDICINE,  25  (7): (3361-3370).  [PMID:33682317] [10.1111/jcmm.16413]