Cas no 18311-52-9 (D-Mannitol,3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylene-, diacetate (9CI))
![D-Mannitol,3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylene-, diacetate (9CI) structure](https://ossimg.kuujia.com/scimg/18500/18311-52-9x500.png)
18311-52-9 structure
Product Name:D-Mannitol,3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylene-, diacetate (9CI)
CAS No:18311-52-9
MF:C17H26O12
MW:422.381146907806
CID:222826
PubChem ID:225513
Update Time:2025-04-19
D-Mannitol,3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylene-, diacetate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Mannitol,3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylene-, diacetate (9CI)
- [5,6-bis(acetyloxymethoxy)-7-(acetyloxymethyl)-1,3-dioxepan-4-yl]methyl acetate
- NSC-226060
- DTXSID40279990
- 18311-52-9
- 1,6-Di-O-acetyl-3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylidenehexitol
- ({6-[(acetyloxy)methoxy]-4,7-bis[(acetyloxy)methyl]-1,3-dioxepan-5-yl}oxy)methyl acetate(non-preferred name)
- 5463-69-4
- NSC-15025
- NSC226060
- 1,3-Dioxepane-4,7-dimethanol,5,6-bis[(acetyloxy)methoxy]-,diacetate(9ci)
- DTXSID40969905
- NSC15025
-
- Inchi： 1S/C17H26O12/c1-10(18)22-5-14-16(28-7-24-12(3)20)17(29-8-25-13(4)21)15(27-9-26-14)6-23-11(2)19/h14-17H,5-9H2,1-4H3
- InChI Key： MAZKRBGBNOYUSO-UHFFFAOYSA-N
- SMILES： O1COC(COC(C)=O)C(C(C1COC(C)=O)OCOC(C)=O)OCOC(C)=O
Computed Properties
- Exact Mass: 422.14242626g/mol
- Monoisotopic Mass: 422.14242626g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 29
- Rotatable Bond Count: 14
- Complexity: 515
- 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: -0.5
- Topological Polar Surface Area: 142?2
D-Mannitol,3,4-bis-O-[(acetyloxy)methyl]-2,5-O-methylene-, diacetate (9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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