Date Severity Status Feedback
Aug 26 2019 2:50AM Extreme Acknowledged this is not a structure
Our structure image display does not show bonds to hydrogen unless they are required to depict stereochemistry.
Jul 21 2019 6:12AM Normal Acknowledged I found a strong difference of the PSA value for water in this record and in Molinspiration. Have you arguments or is it an error? Thank you very much in advance
It looks like the property prediction toolkit we use did not generate an actual value for the PSA of water, which is why it says 0. I apologise for any confusion.
Jan 22 2018 5:47PM Normal Acknowledged something is wrong this drawing is not a drawing please show the structure not the word also, something is wrong with this in connection with your structure search engine when filling in the structure for water, the search returns no results
This is a structural drawing, following the same rules as all other structures drawn on ChemSpider. Bonds to H are only drawn explicitly if they are required to depict stereochemistry. You can see in this record: http://www.chemspider.com/Chemical-Structure.58238.html that the bonds between O and H are not drawn explicitly, just as for water. I have tested the structure search for water and it works normally – if you let me know the exact parameters of your search I may be able to find the problem.
Apr 12 2017 4:46AM Normal Acknowledged The box that is supposed to show the 2D chemical structure of water only shows the molecular formula. Although the 3D structure is correct, it would be nice to actually have the 2D (bent) structure shown for purposes of comparison with other molecules of similar shape. Thank you.
Thank you for your feedback. In response to your question; the ChemSpider database is not intended to provide the data that you describe. ChemSpider is based upon chemical structures and captures the key information that distinguishes molecule, Atom-connectivity and stereochemical data (E/Z, R/S). Our data is not intended to convey information on conformation or accurate bond angles. With regards to the depiction of H2O, OH2 or H-O-H, each of these depictions is valid chemical description of a molecule of water and may be considered consistent for the purposes of identifying that the molecule in question is water.
Nov 8 2012 5:03AM Normal Acknowledged Why is the chemical structure of water shown as H2O rather than H-O-H with the bonds making a 104.45 degree angle? For water only, the molecular formula is shown rather than the chemical structure. To make matters worse, exporting this to SYMYX draw gives the chemical structure as OH2. Is is possible to correct this inconsistency? Thanks!
Thank you for your feedback. In response to your question; the ChemSpider database is not intended to provide the data that you describe. ChemSpider is based upon chemical structures and captures the key information that distinguishes molecule, Atom-connectivity and stereochemical data (E/Z, R/S). Our data is not intended to convey information on conformation or accurate bond angles. With regards to the depiction of H2O, OH2 or H-O-H, each of these depictions is valid chemical description of a molecule of water and may be considered consistent for the purposes of identifying that the molecule in question is water.
Oct 20 2012 4:27AM Normal Acknowledged How sure are you that water is: CORROSIVE, burns skin and eyes Alfa Aesar WARNING: Not for human consumption. Alfa Aesar WARNING: CORROSIVE, irritates skin and eyes Alfa Aesar WARNING: Not sold for human treatment, trials or use Alfa Aesar None. Oxford University Chemical Safety Data
Some of the statements were incorrect and have been removed. While we all know that water can be consumed - in this case the statement: Not sold for human treatment, trials or us refers to the advice supplied by a chemical supplier and in that context is a valid statement.
Mar 29 2012 1:13AM Normal Acknowledged the ACD labs polar surface area for water (ID 937) is given as 0, which I believe is incorrect
Thank you for your feedback. In the future we will be regenerating the predicted properties for the whole database, which will hopefully result in a more reasonable value.
May 3 2011 11:56PM Normal Fixed N,N'-dihexylbenzimidazolium hexafluorophosphate is listed as a synonym for water, which is isnt.
the incorrect synonym has been removed. Thank you for your feedback.
Jun 18 2009 4:26PM Normal Acknowledged Have started curating this, but suspect that there are so many wrong entries, I suggest where possible, deleting all the Ids, and then putting in the correct Ids manually
Apr 3 2008 2:57PM Normal Acknowledged There is a link in one of the Data Sources (BioCyc) for P-HYDROXYMERCURIBENZOATE. It appears that a number of the external links are for things CONTAINING water rather than for water itself.
EXternal links from data sources need to be reconfirmed
Jul 27 2007 11:04AM Normal Fixed These are poor representations of water Type 2 Copper Site Water Type 2 Copper Site Waters CCRIS 6115 Oxygen O8 Of 8-Oxoadenine GLUCOSE 4-O4 GROUP Oxygen Of Oxidized Methionine Water for injection (JP15) Oxygen Bound To Cys 83 Sg Oxygen Bond To Sg Cys A 67
All removed
May 24 2007 11:47AM Normal Fixed These are NOT synonyms for water Methionine; Water for injection (JP15); Oxygen Bound To Cys 83 Sg; Oxygen Bond To Sg Cys A 67; Sterile purified water (JP15); CHEBI:15377; CHEBI:25698; [OH2]; H(2)O; Disordered Solvent - See Remark 8; EINECS 231-791-2; Oxygen Bound To +a B 17 At C8; Disordered Solvent - See Remark 10; Disordered Solvent - See Remark 11; Disordered Solvent - See Remark 12; NSC147337; NSC 147337; The Oxygen Is Linked To The Haem Iron; Hydroxy Group Bond To Sg Cys B 67.; Oxygen Bound To Cys 25 Sg - Remark 4; The Oxo Group Is Linked To The Haem Iron; C00001; D00001; 7732-18-5; Water, distilled, conductivity or of similar purity; H2O; HOH; Ice; DIS; GTE; H20; HYD; MTO; OX; OXO; UNK; 13670-17-2; 14314-42-2; 17778-80-2; 558440-22-5; DOD; DUM; glc; O2; OH; OX1; TIP; UNL
All removed