Cas no 2957-09-7 ((2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid)
2957-09-7 structure
Product Name:(2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid
CAS No:2957-09-7
MF:C5H8O6
MW:164.113422393799
CID:1440077
PubChem ID:3083787
Update Time:2025-04-20
(2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- (2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid
- SCHEMBL9930076
- 2957-09-7
- Butanedioic acid, 2-hydroxy-2-(hydroxymethyl)-
- 2-Hydroxy-2-(hydroxymethyl)butanedioic acid
- DTXSID20183743
- CHEBI:189177
- itatartaric acid
-
- Inchi： 1S/C5H8O6/c6-2-5(11,4(9)10)1-3(7)8/h6,11H,1-2H2,(H,7,8)(H,9,10)/t5-/m1/s1
- InChI Key： QKDVEGVVCQTJPD-RXMQYKEDSA-N
- SMILES： O[C@@](C(=O)O)(CO)CC(=O)O
Computed Properties
- Exact Mass: 164.03204
- Monoisotopic Mass: 164.03208797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.2
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.06
(2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
2957-09-7 ((2R)-2-hydroxy-2-(hydroxymethyl)butanedioic acid) Related Products
- 5949-29-1(Citric acid monohydrate)
- 6100-05-6(Potassium citrate monohydrate)
- 10402-15-0(Copper Citrate)
- 866-83-1(Potassium Citrate Monobasic)
- 77-92-9(Citric acid)
- 77-95-2(D(-)-Quinic Acid)
- 3012-65-5(Diammonium hydrogen citrate)
- 6205-14-7(Hydroxycitric Acid (Technical Grade))
- 7778-49-6(Potassium citrate)
- 3739-30-8(2-Hydroxy-2-methylbutyric acid)
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