Di(β-D-xylopyranosyl)amine - ≥95% , CAS No.62983-70-4

CAS: 62983-70-4 Cat. No.: D120955 Molecular Weight: 281.26 PubChem CID: 14100617

GRADE & PURITY ≥95%

Synonyms

(2R,2'R,3R,3'R,4S,4'S,5R,5'R)-2,2'-Azanediylbis(tetrahydro-2H-pyran-3,4,5-triol) | (2R,3R,4S,5R)-2-{[(2R,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]AMINO}OXANE-3,4,5-TRIOL | A-D-xylopyranosyl)amine | DI-BETA-D-XYLOPYRANOSYLAMINE | (2R,3R,4S,5R)-2-{[(2R,3R,4S,5R)

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Di-β-D-xylopyranosylamine is a diglycosylamine generated from the transglycosylation of β-D-xylopyranosylamine.

Specifications

Synonyms

(2R, 2'R, 3R, 3'R, 4S, 4'S, 5R, 5'R)-2, 2'-Azanediylbis(tetrahydro-2H-pyran-3, 4, 5-triol) | (2R, 3R, 4S, 5R)-2-{[(2R, 3R, 4S, 5R)-3, 4, 5-TRIHYDROXYOXAN-2-YL]AMINO}OXANE-3, 4, 5-TRIOL | A-D-xylopyranosyl)amine | DI-BETA-D-XYLOPYRANOSYLAMINE | (2R, 3R, 4S, 5R)-2-{[(2R, 3R, 4S, 5R)

Specifications & Purity

≥95%

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%

Names and Identifiers

• Canonical Smiles: C1C(C(C(C(O1)NC2C(C(C(CO2)O)O)O)O)O)O
• IUPAC Name: (2R,3R,4S,5R)-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]amino]oxane-3,4,5-triol
• InChIKey: WDQLRJPDYLYTMJ-IJNKSVJISA-N
• INCHI: 1S/C10H19NO8/c12-3-1-18-9(7(16)5(3)14)11-10-8(17)6(15)4(13)2-19-10/h3-17H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-/m1/s1
• Isomeric SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)N[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O
• WGK Germany: 3
• PubChem CID: 14100617
• Molecular Weight: 281.26

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: N-linked disaccharides Oxanes Secondary alcohols Hemiaminals 1,2-diols Secondary amines Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Disaccharide - N-glycosyl compound - N-linked disaccharide - Oxane - Secondary alcohol - 1,2-diol - Hemiaminal - Organoheterocyclic compound - Secondary amine - Polyol - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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

• Molecular Weight: 281.260 g/mol
• XLogP3: -4.300
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 281.111 Da
• Monoisotopic Mass: 281.111 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 277.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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