Cas no 40613-68-1 ( )
structure
Product Name:
CAS No:40613-68-1
MF:C8H12O6
MW:204.177283287048
CID:925968
PubChem ID:315264
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 2-(1,2-dihydroxyethyl)-3,4-dimethoxy-2H-furan-5-one
- 2,3-di-O-methyl-L-ascorbic acid
- 2,3-O-dimethyl-L-ascorbic acid
- 5-(1,2-dihydroxyethyl)-3,4-dimethoxy-5H-furan-2-one
- AC1L7RBW
- CHEMBL46084
- CTK1D7500
- Lg-threo-4,5,6-trihydroxy-2,3-dimethoxy-hex-2c-enoic acid-4-lactone
- Lg-threo-4,5,6-Trihydroxy-2,3-dimethoxy-hex-2c-ensaeure-4-lacton
- NSC239981
- NSC-239981
- AKOS004902921
- DTXSID20311180
- 5-(1,2-Dihydroxyethyl)-3,4-dimethoxyfuran-2(5H)-one
- 40613-68-1
-
-
- Inchi： 1S/C8H12O6/c1-12-6-5(4(10)3-9)14-8(11)7(6)13-2/h4-5,9-10H,3H2,1-2H3
- InChI Key： PLFZSHMRIUGRDH-UHFFFAOYSA-N
- SMILES： O1C(C(=C(C1C(CO)O)OC)OC)=O
Computed Properties
- Exact Mass: 204.06336
- Monoisotopic Mass: 204.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 259
- 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
- XLogP3: -1.2
- Topological Polar Surface Area: 85.2?2
Experimental Properties
- PSA: 85.22
- LogP: -1.23060
Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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