1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3)
PubChem CID
117063816
Structure
Chemical Safety
Molecular Formula
Synonyms
- Disodium hydrogen citrate sesquihydrate
- CZ1032CEKR
- Disodium citrate sesquihydrate
- 6132-05-4
- Sodium citrate dibasic sesquihydrate
Molecular Weight
526.22 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2016-01-30
- Modify:2025-01-04
Chemical Structure Depiction
3D Conformer of Parent
tetrasodium;2-(carboxymethyl)-2-hydroxybutanedioate;trihydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/2C6H8O7.4Na.3H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;3*1H2/q;;4*+1;;;/p-4
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
HGPVLOQNBSHYEI-UHFFFAOYSA-J
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Na+].[Na+].[Na+].[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C12H18Na4O17
Computed by PubChem 2.2 (PubChem release 2021.10.14)
6132-05-4
- Disodium hydrogen citrate sesquihydrate
- CZ1032CEKR
- Disodium citrate sesquihydrate
- 6132-05-4
- Sodium citrate dibasic sesquihydrate
- Disodium hydrogen citrate 1.5 H2O
- EC No. 612-119-0
- Citric acid, disodium salt, sesquihydrate
- Tetrasodium, 3-carboxy-3-hydroxypentanedioate, trihydrate
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, disodium salt, hydrate (2:3)
- 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3)
- UNII-CZ1032CEKR
- sodium hydrogen citrate sesquihydrate
- DB-230278
- Sodium citrate dibasic sesquihydrate, purum p.a., >=99.0% (T)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
526.22 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
17
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
526.01347623 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
526.01347623 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
279 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
33
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
234
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
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
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
9
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 Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Household & Commercial/Institutional Products
Information on 1 consumer products that contain Disodium citrate sesquihydrate in the following categories is provided:
• Inside the Home
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Not Classified
- ChemIDplusDisodium citrate sesquihydratehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0006132054ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-notice1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3)https://echa.europa.eu/substance-information/-/substanceinfo/100.110.9661,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt, hydrate (2:4:3) (EC: 612-119-0)https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/23108
- Consumer Product Information Database (CPID)LICENSECopyright (c) 2024 DeLima Associates. All rights reserved. Unless otherwise indicated, all materials from CPID are copyrighted by DeLima Associates. No part of these materials, either text or image may be used for any purpose other than for personal use. Therefore, reproduction, modification, storage in a retrieval system or retransmission, in any form or by any means, electronic, mechanical or otherwise, for reasons other than personal use, is strictly prohibited without prior written permission.https://www.whatsinproducts.com/contents/view/1/6Disodium citrate sesquihydratehttps://www.whatsinproducts.com/chemicals/view/1/6523/006132-05-4Consumer Products Category Classificationhttps://www.whatsinproducts.com/
- NLM RxNorm TerminologyLICENSEThe RxNorm Terminology is created by the National Library of Medicine (NLM) and is in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from NLM. Credit to the U.S. National Library of Medicine as the source is appreciated but not required. The full RxNorm dataset requires a free license.https://www.nlm.nih.gov/research/umls/rxnorm/docs/termsofservice.htmldisodium citrate sesquihydratehttps://rxnav.nlm.nih.gov/id/rxnorm/2049608
- Springer Nature
- WikidataSodium 3,4-dicarboxy-3-hydroxybutanoate 2-hydroxypropane-1,2,3-tricarboxylate--water (4/1/1/3)https://www.wikidata.org/wiki/Q82961788
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
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