4'-O-β-D-Glucosyl-5-O-methylvisamminol - 10mM in DMSO , CAS No.84272-85-5

CAS: 84272-85-5 Cat. No.: O426192 Molecular Weight: 452.46 EC Number: 683-256-1 PubChem CID: 21670038

GRADE & PURITY 10mM in DMSO

Synonyms

PD063631 | AS-64456 | MFCD10566635 | s5462 | HY-N0442 | CCG-269254 | Q-100851 | 4'-o--D-Glucosyl-5-o-methylvisamminol | 4'-o-D-Glucosyl-5-o-methylvisamminol | 4'-O-beta-D-Glucosyl 5-O-methylvisamminol | AC-34313 | AKOS037514537 | (S)-4-Methoxy-7-methyl-2-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

PD063631 | AS-64456 | MFCD10566635 | s5462 | HY-N0442 | CCG-269254 | Q-100851 | 4'-o--D-Glucosyl-5-o-methylvisamminol | 4'-o-D-Glucosyl-5-o-methylvisamminol | 4'-O-beta-D-Glucosyl 5-O-methylvisamminol | AC-34313 | AKOS037514537 | (S)-4-Methoxy-7-methyl-2-

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)OC4C(C(C(C(O4)CO)O)O)O)OC
• IUPAC Name: (2S)-4-methoxy-7-methyl-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-5-one
• InChIKey: QVGFPTYGKPLXPK-OOBAEQHESA-N
• INCHI: 1S/C22H28O10/c1-9-5-11(24)16-13(29-9)7-12-10(20(16)28-4)6-15(30-12)22(2,3)32-21-19(27)18(26)17(25)14(8-23)31-21/h5,7,14-15,17-19,21,23,25-27H,6,8H2,1-4H3/t14-,15+,17-,18+,19-,21+/m1/s1
• Isomeric SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC
• PubChem CID: 21670038
• Molecular Weight: 452.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Chromones
          • Level6 Furanochromones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Chromones
• Direct Parent: Furanochromones
• Alternative Parents: Hexoses O-glycosyl compounds Coumarans Anisoles Pyranones and derivatives Alkyl aryl ethers Oxanes Vinylogous esters Heteroaromatic compounds Secondary alcohols Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanochromone - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Monosaccharide - Benzenoid - Pyran - Oxane - Heteroaromatic compound - Vinylogous ester - Secondary alcohol - Oxacycle - Acetal - Ether - Polyol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system.
• 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): 148-150°C
• Molecular Weight: 452.500 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 452.168 Da
• Monoisotopic Mass: 452.168 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 738.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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