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 |