D-(+)-Melezitose monohydrate - analytical standard , CAS No.10030-67-8

CAS: 10030-67-8 Cat. No.: M106963 Molecular Weight: 504.44 (anhydrous basis) Beilstein Registry Number: 99539 EC Number: 209-894-9 PubChem CID: 16217716

GRADE & PURITY Analytical standard

Synonyms

Melicitose | (2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-6,6'-(((2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol) hydrate | D-(+)-Melezitose monohydrate | D(+)-Melezitose monohyd

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

D-Melezitose has been used in a study to assess the identification of clinical isolates of indole-positive and indole-negative Klebsiella spp. 1 It has also been used in a study to investigate new epidemiologic markers of Klebsiella oxytoca strains.

Specifications

Synonyms

Melicitose | (2R, 2'R, 3S, 3'S, 4S, 4'S, 5R, 5'R, 6R, 6'R)-6, 6'-(((2S, 3S, 4R, 5R)-4-Hydroxy-2, 5-bis(hydroxymethyl)tetrahydrofuran-2, 3-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3, 4, 5-triol) hydrate | D-(+)-Melezitose monohydrate | D(+)-Melezitose monohyd

Specifications & Purity

analytical standard

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.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C(C1C(C(C(C(O1)OC2C(C(OC2(CO)OC3C(C(C(C(O3)CO)O)O)O)CO)O)O)O)O)O.O
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;hydrate
• InChIKey: CFXAVQUXSYFPDE-ZDVKUAOASA-N
• INCHI: 1S/C18H32O16.H2O/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17;/h5-17,19-29H,1-4H2;1H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+;/m1./s1
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O.O
• WGK Germany: 3
• Alternate CAS: 597-12-6
• PubChem CID: 16217716
• Molecular Weight: 504.44 (anhydrous basis)
• Beilstein: 99539

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds C-glycosyl compounds Ketals Oxanes Oxolanes Secondary alcohols Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Oxolane - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Alcohol - Primary alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• 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

Associated Targets(Human)

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 160°C
• Molecular Weight: 522.500 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 522.18 Da
• Monoisotopic Mass: 522.18 Da
• Topological Polar Surface Area: 270.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 655.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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: 2

XLogP3

References

1. Zheng Jiang, Hong Wang, Miao Yu, Cheng Qu, Wei Yue, Qinan Wu.  (2023)  A low-cost efficient online derivatization system for the determination of saccharides by high-performance liquid chromatograph-ultraviolet detector.  JOURNAL OF SEPARATION SCIENCE,  46  (20): (2300384).  [PMID:37691057] [10.1002/jssc.202300384]