1,1,1,1-Kestohexaose - ≥98% , CAS No.62512-19-0

CAS: 62512-19-0 Cat. No.: K412899 Peso molecular: 990.86 PubChem CID: 50938612

GRADE & PURITY ≥98%

Synonyms

α-​D-​Glucopyranoside,O-​β-​D-​fructofuranosyl-​(2→1)​-​O-​β-​D-​fructofuranosyl-​(2→1)​-​O-​β-​D-​fructofuranosyl-​(2→1)​-​O-​β-​D-​fructofuranosyl-​(2→1)​-​β-​D-​fructofuranosyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Information

1,1,1,1-Kestohexaose is a major DP 6 fructan in crested wheatgrass leaves.

Specifications

Sinónimos

α-​D-​Glucopyranoside, O-​β-​D-​fructofuranosyl-​(2→1)​-​O-​β-​D-​fructofuranosyl-​(2→1)​-​O-​β-​D-​fructofuranosyl-​(2→1)​-​O-​β-​D-​fructofuranosyl-​(2→1)​-​β-​D-​fructofuranosyl

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

1, 1, 1, 1-Kestohexaose is a major DP 6 fructan in crested wheatgrass leaves.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Propiedades del producto

• ALogP: -11.499
• Recuento HBD: 20
• Enlace rotable: 21

Nombres e identificadores

• Pubchem Sid: 504770978
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770978
• Sonrisas canónicas: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)COC6(C(C(C(O6)CO)O)O)CO)O)O)O)O
• IUPAC Name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: BWRYDXSZCCQXIF-TWMOFSFSSA-N
• INCHI: 1S/C36H62O31/c37-1-12-18(44)24(50)25(51)31(61-12)67-36(30(56)23(49)17(6-42)66-36)11-60-35(29(55)22(48)16(5-41)65-35)10-59-34(28(54)21(47)15(4-40)64-34)9-58-33(27(53)20(46)14(3-39)63-33)8-57-32(7-43)26(52)19(45)13(2-38)62-32/h12-31,37-56H,1-11H2/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36+/m1/s1
• Isómeros SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([C@@H]([C@H](O5)CO)O)O)CO[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O
• PubChem CID: 50938612
• Peso molecular: 990.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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 Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Oxolane - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Hydrocarbon derivative - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (100.92 mM)
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 100.922431019518
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 990.900 g/mol
• XLogP3: -11.100
• Hydrogen Bond Donor Count: 20
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 21
• Exact Mass: 990.328 Da
• Monoisotopic Mass: 990.328 Da
• Topological Polar Surface Area: 506.000 Ų
• Heavy Atom Count: 67
• Formal Charge: 0
• Complexity: 1590.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 25
• 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