Cas no 173934-26-4 ((R)-2-(Carboxymethyl)-5-oxotetrahydrofuran-2-carboxylic acid)
173934-26-4 structure
Product Name:(R)-2-(Carboxymethyl)-5-oxotetrahydrofuran-2-carboxylic acid
CAS No:173934-26-4
MF:C7H8O6
MW:188.134822845459
CID:905979
Update Time:2024-02-29
(R)-2-(Carboxymethyl)-5-oxotetrahydrofuran-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- (R)-HOMOCITRIC ACID LACTONE
- (2R)-2-(carboxymethyl)-5-oxooxolane-2-carboxylic acid
- R-(-)-HOMOCITRIC ACID LACTONE
- (R)-2-(Carboxymethyl)-5-oxotetrahydrofuran-2-carboxylic acid
- (R)-(-)-2-CARBOXYTETRAHYDRO-5-OXO-2-FURANACETIC ACID
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- Inchi： 1S/C7H8O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-3H2,(H,8,9)(H,11,12)/t7-/m1/s1
- InChI Key： FMWCVXXCFOTHGM-SSDOTTSWSA-N
- SMILES： O1C(CC[C@]1(C(=O)O)CC(=O)O)=O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 270
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: -0.9
- Topological Polar Surface Area: 101
(R)-2-(Carboxymethyl)-5-oxotetrahydrofuran-2-carboxylic acid Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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