Rosin - ≥95%(HPLC) , CAS No.85026-55-7

CAS: 85026-55-7 Cat. No.: R463713 Formula: C₁₅H₂₀O₆ Molecular Weight: 296.32 EC Number: 875-664-5 PubChem CID: 5280656

GRADE & PURITY ≥95%(HPLC)

Synonyms

beta-D-Glucopyranoside, 3-phenyl-2-propenyl, (E)- | AS-84060 | HY-N0508 | ROSIN X | CHINESE ROSIN W | UNII-SVS3GU8AY8 | KHPCPRHQVVSZAH-GUNCLKARSA-N | Q15424776 | ROSIN (CHEMICAL) | 3-Phenyl-2-propenylbeta-D-glucopyranoside | AKOS016009311 | SVS3GU8AY8 | (

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

beta-D-Glucopyranoside, 3-phenyl-2-propenyl, (E)- | AS-84060 | HY-N0508 | ROSIN X | CHINESE ROSIN W | UNII-SVS3GU8AY8 | KHPCPRHQVVSZAH-GUNCLKARSA-N | Q15424776 | ROSIN (CHEMICAL) | 3-Phenyl-2-propenylbeta-D-glucopyranoside | AKOS016009311 | SVS3GU8AY8 | (

Specifications & Purity

≥95%(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

≥95%(HPLC)

Names and Identifiers

Canonical Smiles

C1=CC=C(C=C1)C=CCOC2C(C(C(C(O2)CO)O)O)O

IUPAC Name

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol

InChIKey

KHPCPRHQVVSZAH-GUNCLKARSA-N

INCHI

1S/C15H20O6/c16-9-11-12(17)13(18)14(19)15(21-11)20-8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12-,13+,14-,15-/m1/s1

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

PubChem CID

5280656

Molecular Weight

296.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Alkyl glycosides O-glycosyl compounds Styrenes Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Styrene - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Polyol - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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

Mechanisms of Action

Chemical and Physical Properties

• x_flash_point_drop_fahrenheit: Not applicable
• x_flash_point_drop_centigrade: Not applicable
• Molecular Weight: 296.310 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 296.126 Da
• Monoisotopic Mass: 296.126 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 328.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1