Cas no 52492-46-3 (D-Gluconic acid, 2,5-anhydro-, methyl ester, triacetate (9CI))
52492-46-3 structure
Product Name:D-Gluconic acid, 2,5-anhydro-, methyl ester, triacetate (9CI)
CAS No:52492-46-3
MF:C13H18O9
MW:318.276625156403
CID:387294
PubChem ID:287102
Update Time:2025-04-19
D-Gluconic acid, 2,5-anhydro-, methyl ester, triacetate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Gluconic acid, 2,5-anhydro-, methyl ester, triacetate (9CI)
- methyl 3,4,6-tri-o-acetyl-2,5-anhydrohexonate
- 52492-46-3
- DTXSID30966928
- NSC146502
- NSC-146502
-
- Inchi： 1S/C13H18O9/c1-6(14)19-5-9-10(20-7(2)15)11(21-8(3)16)12(22-9)13(17)18-4/h9-12H,5H2,1-4H3
- InChI Key： BQVGALFPSBRPQD-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)C(C(C1COC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 318.09500
- Monoisotopic Mass: 318.09508215g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 22
- Rotatable Bond Count: 9
- Complexity: 458
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 114.43000
- LogP: -0.64670
D-Gluconic acid, 2,5-anhydro-, methyl ester, triacetate (9CI) Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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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
52492-46-3 (D-Gluconic acid, 2,5-anhydro-, methyl ester, triacetate (9CI)) Related Products
- 90-80-2(D-(+)-Glucono-1,5-lactone)
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- 22430-23-5(L-Mannono-1,4-lactone)
- 1128-23-0(L-Gulono-1,4-lactone)
- 2782-07-2(D-Galactono-1,4-lactone)
- 16874-34-3(Ethyl Tetrahydro-2-fuorate)
- 32499-92-6(D-Galacturonolactone)
- 37443-42-8(Methyl tetrahydrofuran-2-carboxylate)
- 2217-15-4((+)-Diisopropyl L-Tartrate)
- 6283-74-5(Di-O-acetyl-L-tartaric Anhydride)
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