2,3,4-Tri-O-methyl-D-xylose
PubChem CID
22215468
Structure
Molecular Formula
Synonyms
- 2,3,4-tri-o-methyl-d-xylose
- 2,3,4-Tri-O-methylxylose
- 95AWB55YGJ
- 2,3,4-Tri-O-methylxylose, D-
- D-Xylose, 2,3,4-tri-O-methyl-
Molecular Weight
192.21 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-12-05
- Modify:2024-12-28
Chemical Structure Depiction
SVG Image
IUPAC Condensed
aldehydo-Xyl2Me3Me4Me
LINUCS
[][aldehydo-D-Xyl2Me3Me4Me]{}
IUPAC
2,3,4-tri-O-methyl-aldehydo-D-xylo-pentose
(2R,3S,4R)-5-hydroxy-2,3,4-trimethoxypentanal
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C8H16O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h4,6-8,10H,5H2,1-3H3/t6-,7+,8+/m0/s1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
TZGIHUVVJVQDHY-XLPZGREQSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CO[C@H](CO)[C@@H]([C@H](C=O)OC)OC
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C8H16O5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
4060-04-2
7434-17-5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
192.21 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
-1.2
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
192.09977361 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
192.09977361 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
65Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
138
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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 2010.01.29)
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Same Connectivity Count
Same Stereo Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplus2,3,4-Tri-O-methyl-D-xylosehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0004060042ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking2,3,4-TRI-O-METHYL-D-XYLOSEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/95AWB55YGJ
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Wikidata2,3,4-tri-O-methyl-D-xylosehttps://www.wikidata.org/wiki/Q27271772
- PubChem
CONTENTS