Cas no 6061-95-6 (3-Hydroxybutane-1,2,3-tricarboxylic acid)
6061-95-6 structure
Product Name:3-Hydroxybutane-1,2,3-tricarboxylic acid
CAS No:6061-95-6
MF:C7H10O7
MW:206.150103092194
CID:510312
Update Time:2024-02-29
3-Hydroxybutane-1,2,3-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- Pentaric acid,3-carboxy-2,3-dideoxy-4-C-methyl-
- threo-alpha-methylisocitrate
- 1,2,3-Butanetricarboxylicacid, 3-hydroxy- (7CI)
- 2-Methylisocitric acid
- a-Methylisocitric acid
- alpha-Methylisocitrate
- 3-Carboxy-2,3-dideoxy-4-C-methylpentaric acid
- 3-hydroxybutane-1,2,3-tricarboxylic acid
- DL-threo-alpha-Methylisocitrate
- 3-Hydroxy-1,2,3-butanetricarboxylate
- d.l-methylisocitrate
- methyl isocitric acid
- DL-Methylisocitric acid
- (2R,3S)2-methylisocitrate
- 3-hydroxy-1,2,3-Butanetricarboxylic acid
- 1,2,3-Butanetricarboxylic acid, 3-hydroxy-
- 1-hydroxy-1-methylpropane-1,2,3-tri
- 3-Hydroxybutane-1,2,3-tricarboxylic acid
-
- Inchi： 1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
- InChI Key： HHKPKXCSHMJWCF-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)(C)C(C(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 206.043
- Monoisotopic Mass: 206.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 271
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 132
3-Hydroxybutane-1,2,3-tricarboxylic acid Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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