Cas no 210713-60-3 ((S)-2-Hydroxybutane-1,2,4-tricarboxylic acid)
210713-60-3 structure
Product Name:(S)-2-Hydroxybutane-1,2,4-tricarboxylic acid
CAS No:210713-60-3
MF:C7H10O7
MW:206.150103092194
CID:2841083
Update Time:2024-03-01
(S)-2-Hydroxybutane-1,2,4-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (S)-2-Hydroxybutane-1,2,4-tricarboxylic acid
- (S)-homocitric acid
- (2S)-homocitric acid
- (2S)-2-HYDROXYBUTANE-1,2,4-TRICARBOXYLIC ACID
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- Inchi： 1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m0/s1
- InChI Key： XKJVEVRQMLKSMO-ZETCQYMHSA-N
- SMILES： O[C@](C(=O)O)(CC(=O)O)CCC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 259
- XLogP3: -1.7
- Topological Polar Surface Area: 132
(S)-2-Hydroxybutane-1,2,4-tricarboxylic acid Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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