beta-D-Talofuranose
PubChem CID
15560229
Structure
Molecular Formula
Synonyms
- beta-D-Talofuranose
- b-Talf
- beta-D-talo-hexofuranose
- SCHEMBL16869125
- CHEBI:148879
Molecular Weight
180.16 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-12
- Modify:2025-01-25
Description
Beta-D-talofuranose is a D-talotyranose that has beta- configuration at the anomeric centre. It is an enantiomer of a beta-L-talofuranose.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
b-Talf
LINUCS
[][b-D-Talf]{}
IUPAC
beta-D-talo-hexofuranose
(2R,3S,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
AVVWPBAENSWJCB-RWOPYEJCSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C([C@H]([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H12O6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
180.16 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-2.6
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
180.06338810 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
180.06338810 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
110 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
151
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
5
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2010.01.29)
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Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- ChEBIBeta-D-talofuranosehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:148879
- Japan Chemical Substance Dictionary (Nikkaji)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Wikidataβ-D-talofuranosehttps://www.wikidata.org/wiki/Q106055870
- PubChem
- Glycan Naming and Subsumption Ontology (GNOme)GNOme
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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