aldehydo-D-paratose
PubChem CID
193410
Structure
Molecular Formula
Synonyms
- aldehydo-D-paratose
- 3,6-Dideoxy-D-ribo-hexose
- 5658-13-9
- (2R,4S,5R)-2,4,5-trihydroxyhexanal
- D-ribo-2,4,5-trihydroxyhexanal
Molecular Weight
148.16 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-08-09
- Modify:2025-01-18
Description
Aldehydo-D-paratose is an aldehydo-paratose that has D-configuration. It is a D-paratose and an aldehydo-paratose.
3,6-Dideoxy-D-ribo-hexose has been reported in Yersinia pseudotuberculosis with data available.
See also: D-Paratose (annotation moved to).
Chemical Structure Depiction
SVG Image
IUPAC Condensed
aldehydo-Par
LINUCS
[][aldehydo-D-Par]{}
IUPAC
3,6-dideoxy-aldehydo-D-ribo-hexose
(2R,4S,5R)-2,4,5-trihydroxyhexanal
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C6H12O4/c1-4(8)6(10)2-5(9)3-7/h3-6,8-10H,2H2,1H3/t4-,5-,6+/m1/s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
GNTQICZXQYZQNE-PBXRRBTRSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C[C@H]([C@H](C[C@H](C=O)O)O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C6H12O4
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- paratose
- paratose, (Z,Z,E,E)-isomer
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
148.16 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
-1.4
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
148.07355886 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
148.07355886 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
77.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
10
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
104
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
3
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 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
D-Paratose (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=GNTQICZXQYZQNE-PBXRRBTRSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/3,6-Dideoxy-D-ribo-hexosehttps://commonchemistry.cas.org/detail?cas_rn=5658-13-9
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxCompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- ChEBIAldehydo-D-paratosehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32478
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/3,6-Dideoxy-D-ribo-hexosehttps://www.wikidata.org/wiki/Q27114953LOTUS Treehttps://lotus.naturalproducts.net/
- Japan Chemical Substance Dictionary (Nikkaji)
- Metabolomics WorkbenchAldehydo-D-paratosehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54584
- Springer Nature
- Wikidataaldehydo-D-paratosehttps://www.wikidata.org/wiki/Q27114953
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403808560https://pubchem.ncbi.nlm.nih.gov/substance/403808560
CONTENTS