Cas no 122137-20-6 (1,3-Dioxolane-4,5-dicarboxaldehyde, 2,2-dimethyl-, (4R,5R)- (9CI))
122137-20-6 structure
Product Name:1,3-Dioxolane-4,5-dicarboxaldehyde, 2,2-dimethyl-, (4R,5R)- (9CI)
CAS No:122137-20-6
MF:C7H10O4
MW:158.151902675629
CID:133483
Update Time:2024-01-25
1,3-Dioxolane-4,5-dicarboxaldehyde, 2,2-dimethyl-, (4R,5R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxolane-4,5-dicarboxaldehyde, 2,2-dimethyl-, (4R,5R)- (9CI)
- (4S,5S)-2,2-dimethyl-[1,3]dioxolane-4,5-dicarbaldehyde
- 1,3-Dioxolane-4,5-dicarboxaldehyde,2,2-dimethyl-, (4R,5R)-
- .2S,3S-isopropylidene tartraldehyde
- .O2,O3-Isopropyliden-D-threo-tetrodialdose
- .O2,O3-isopropylidene-D-threo-tetrodialdose
- 2,3-O-isopropylidene tartraldehyde
- 1,3-Dioxolane-4,5-dicarboxaldehyde, 2,2-dimethyl-, (4R,5R)-
-
- Inchi： 1S/C7H10O4/c1-7(2)10-5(3-8)6(4-9)11-7/h3-6H,1-2H3/t5-,6-/m0/s1
- InChI Key： HZJHBGXHOJVFGH-WDSKDSINSA-N
- SMILES： O1[C@@H](C=O)[C@H](C=O)OC1(C)C
Computed Properties
- Exact Mass: 158.05800
- Monoisotopic Mass: 158.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 157
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6A^2
Experimental Properties
- PSA: 52.60000
- LogP: -0.09570
1,3-Dioxolane-4,5-dicarboxaldehyde, 2,2-dimethyl-, (4R,5R)- (9CI) Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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