1,6-Anhydro-3,4-O-isopropylidene-β-D-galactopyranose - ≥98% , CAS No.52579-97-2

CAS: 52579-97-2 Cat. No.: A352830 Molecular Weight: 202.2 PubChem CID: 10465447

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504765483
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765483
• Canonical Smiles: CC1(OC2C3COC(O3)C(C2O1)O)C
• IUPAC Name: (1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
• InChIKey: IQSQTOWMVAKJTC-JAJWTYFOSA-N
• INCHI: 1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
• Isomeric SMILES: CC1(O[C@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O1)O)C
• PubChem CID: 10465447
• Molecular Weight: 202.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxolopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxolopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxolopyrans
• Alternative Parents: Oxepanes Ketals Oxanes Monosaccharides 1,3-dioxolanes Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Dioxolopyran - Ketal - Oxepane - Oxane - Monosaccharide - Meta-dioxolane - 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 dioxolopyrans. These are compounds containing a dioxolopyran moiety, which consists of a dioxole ring fused to a pyran ring.
• 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

• Solubility: Soluble in chloroform, and dichloromethane.
• Refractive Index: n20D~1.56
• Boil Point(°C): 567.22° C at 760 mmHg (Predicted)
• Melt Point(°C): 145-146° C
• Molecular Weight: 202.200 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 202.084 Da
• Monoisotopic Mass: 202.084 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 254.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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