n-Heptyl β-D-thioglucopyranoside - ≥99% , CAS No.85618-20-8

CAS: 85618-20-8 Cat. No.: N465619 Molecular Weight: 294.41 Beilstein Registry Number: 6057483

GRADE & PURITY ≥99%

Synonyms

Heptyl 1-thioglucoside | Heptyl b-D-thioglucopyranoside | Heptyl ss-D-Thioglucopyranoside | Heptyl 1-thiohexopyranoside | (2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol | n-Heptyl beta -D-thioglucopyranoside | SCHEMBL137948 | DTXSID1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Useful non-ionic detergent for solubilization and reconstitution of membrane proteins.

Specifications

Synonyms

Heptyl 1-thioglucoside | Heptyl b-D-thioglucopyranoside | Heptyl ss-D-Thioglucopyranoside | Heptyl 1-thiohexopyranoside | (2S, 3R, 4S, 5S, 6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3, 4, 5-triol | n-Heptyl beta -D-thioglucopyranoside | SCHEMBL137948 | DTXSID1

Specifications & Purity

≥99%

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

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCSC1C(C(C(C(O1)CO)O)O)O
• IUPAC Name: (2S,3R,4S,5S,6R)-2-heptylsulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: HPEGNLMTTNTJSP-LBELIVKGSA-N
• INCHI: 1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
• Isomeric SMILES: CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
• WGK Germany: 3
• Molecular Weight: 294.41
• Beilstein: 6057483
• Reaxy-Rn: 25444931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25444931&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Thioglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Thioglycosides
• Alternative Parents: Hexoses Oxanes Monothioacetals Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - S-glycosyl compound - Oxane - Monosaccharide - Monothioacetal - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thioglycosides. These are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond.
• 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): 98 °C
• Molecular Weight: 294.410 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 294.15 Da
• Monoisotopic Mass: 294.15 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 241.000
• 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