Methyl 2，3:4，6-Di-O-benzylidene-α-D-mannopryanoside - ≥98%(HPLC) , CAS No.4148-71-4

CAS: 4148-71-4 Cat. No.: M137230 Molecular Weight: 370.4 Beilstein Registry Number: 19(4)6150 PubChem CID: 73631

GRADE & PURITY ≥98%(HPLC)

Synonyms

MFCD00192286 | Methyl 2,3:4,6-Di-O-benzylidene- | (1R,2S,6S,7S,9R)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.0(2),?]tridecane | NCGC00341929-01 | VGLOFWHLPMVSBF-GGUYPNGTSA-N | Mannopyranoside, methyl 2,3:4,6-di-O-benzylidene- | NSC266498

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MFCD00192286 | Methyl 2, 3:4, 6-Di-O-benzylidene- | (1R, 2S, 6S, 7S, 9R)-7-methoxy-4, 12-diphenyl-3, 5, 8, 11, 13-pentaoxatricyclo[7.4.0.0(2), ?]tridecane | NCGC00341929-01 | VGLOFWHLPMVSBF-GGUYPNGTSA-N | Mannopyranoside, methyl 2, 3:4, 6-di-O-benzylidene- | NSC266498

Specifications & Purity

≥98%(HPLC)

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504754718
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754718
• Canonical Smiles: COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)OC(O2)C5=CC=CC=C5
• IUPAC Name: (1R,2S,6S,7S,9R)-7-methoxy-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
• InChIKey: VGLOFWHLPMVSBF-GGUYPNGTSA-N
• INCHI: 1S/C21H22O6/c1-22-21-18-17(26-20(27-18)14-10-6-3-7-11-14)16-15(24-21)12-23-19(25-16)13-8-4-2-5-9-13/h2-11,15-21H,12H2,1H3/t15-,16-,17+,18+,19?,20?,21+/m1/s1
• Isomeric SMILES: CO[C@@H]1[C@@H]2[C@H]([C@H]3[C@H](O1)COC(O3)C4=CC=CC=C4)OC(O2)C5=CC=CC=C5
• PubChem CID: 73631
• Molecular Weight: 370.4
• Beilstein: 19(4)6150
• Reaxy-Rn: 95752

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: Oxanes Monosaccharides Benzene and substituted derivatives 1,3-dioxanes 1,3-dioxolanes Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dioxolopyran - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Meta-dioxane - Meta-dioxolane - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic 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

• Melt Point(°C): 185 °C
• Molecular Weight: 370.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 370.142 Da
• Monoisotopic Mass: 370.142 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 489.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1