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Revision as of 09:50, 20 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 472979596 of page Sodium_bisulfite for the Chem/Drugbox validation project (updated: 'ChEBI', 'ChEMBL').← Previous edit Revision as of 09:53, 20 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477355212 of page Sodium_gluconate for the Chem/Drugbox validation project (updated: 'StdInChI', 'StdInChIKey', 'ChEMBL').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{Chembox
| ImageFile = sodium gluconate.svg
| Verifiedfields = changed
| ImageSize = 200px
| verifiedrevid = 472263745
| IUPACName = Sodium (2''R'',3''S'',4''R'',5''R'')-2,3,4,5,6-pentahydroxyhexanoate
| ImageFile = Sodium bisulfite.png
| OtherNames = Sodium <small>D</small>-gluconate
| ImageSize = 140px
| ImageFile1 = Sodium-bisulfite-3D-balls.png
| ImageSize1 = 160px
| ImageName1 = Ball-and-stick model of a bisulfite anion (left) and a sodium cation (right)
| IUPACName = Sodium hydrogen sulfite
| OtherNames = E222
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| CASNo = 7631-90-5 | CASNo = 527-07-1
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo_Ref = {{cascite|correct|CAS}}
| StdInChI = 1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
| ChEBI = 26709
| StdInChIKey = UPMFZISCCZSDND-JJKGCWMISA-M
| PubChem = 656672 | PubChem = 84687
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 571016 | ChemSpiderID = 76397
| ChEMBL = <!-- blanked - oldvalue: 1200919 -->
| ChEMBL_Ref = {{ebicite|changed|EBI}}
| SMILES = .C(=O)(O)(O)(O)(O)CO
| ChEMBL = <!-- blanked - oldvalue: 1689285 -->
| InChI = InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
| SMILES = .S(=O)O
| InChI = 1/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
| InChIKey = DWAQJAXMDSEUJJ-REWHXWOFAL
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = DWAQJAXMDSEUJJ-UHFFFAOYSA-M
| RTECS = VZ2000000
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=6|H=11|Na=1|O=7
| Formula = NaHSO<sub>3</sub>
| MolarMass = 104.061 g/mol | Appearance =
| Appearance = White solid | Density =
| MeltingPt =
| Density = 1.48 g/cm<sup>3</sup>
| MeltingPtC = 150 | BoilingPt =
| BoilingPt = | Solubility =
| Solubility = 42 g/100 mL
}} }}
| Section7 = {{Chembox Hazards | Section3 = {{Chembox Hazards
| ExternalMSDS = | MainHazards =
| EUIndex = 016-064-00-8 | FlashPt =
| Autoignition =
| EUClass = Harmful ('''Xn''')
| RPhrases = {{R22}} {{R31}}
| SPhrases = {{S2}}, {{S25}}, {{S46}}
| NFPA-H = 2
| NFPA-F = 1
| NFPA-R = 2
| FlashPt = Non-flammable
}}
| Section8 = {{Chembox Related
| OtherAnions = ]<br/>]
| OtherCations = ]
}} }}
}} }}

Revision as of 09:53, 20 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 477355212 of page Sodium_gluconate with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name Sodium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Other names Sodium D-gluconate
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1Key: UPMFZISCCZSDND-JJKGCWMISA-M
  • InChI=1S/C6H12O7.Na/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1/t2-,3-,4+,5-;/m1./s1
SMILES
  • .C(=O)(O)(O)(O)(O)CO
Properties
Chemical formula C6H11NaO7
Molar mass 218.137 g·mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Tracking categories (test):
Chemical compound