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

CAS: 85026-55-7 Cat. No.: R463713 分子式: C₁₅H₂₀O₆ 分子量: 296.32 EC番号: 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

同義語

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 | (

仕様と純度

≥95%(HPLC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%(HPLC)

名前と識別子

カノニカル・スマイル

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

異性体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

分子量

296.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 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