Cas no 7464-31-5 (Mannitol,6-deoxy-3-O-(hydroxymethyl)-4,5-O-methylene-, triacetate, L- (8CI))
7464-31-5 structure
Product Name:Mannitol,6-deoxy-3-O-(hydroxymethyl)-4,5-O-methylene-, triacetate, L- (8CI)
CAS No:7464-31-5
MF:C14H22O9
MW:334.319085597992
CID:579289
PubChem ID:345981
Update Time:2025-04-19
Mannitol,6-deoxy-3-O-(hydroxymethyl)-4,5-O-methylene-, triacetate, L- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Mannitol,6-deoxy-3-O-(hydroxymethyl)-4,5-O-methylene-, triacetate, L- (8CI)
- [2-acetyloxy-3-(acetyloxymethoxy)-3-(5-methyl-1,3-dioxolan-4-yl)propyl] acetate
- 7464-31-5
- NSC403967
- DTXSID30323416
- NSC-403967
-
- Inchi： 1S/C14H22O9/c1-8-13(21-6-19-8)14(22-7-20-10(3)16)12(23-11(4)17)5-18-9(2)15/h8,12-14H,5-7H2,1-4H3
- InChI Key： AMGNJAJGVCORIQ-UHFFFAOYSA-N
- SMILES： O1COC(C)C1C(C(COC(C)=O)OC(C)=O)OCOC(C)=O
Computed Properties
- Exact Mass: 334.12636
- Monoisotopic Mass: 334.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 11
- Complexity: 423
- 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: 0.1
- Topological Polar Surface Area: 107?2
Experimental Properties
- Density: 1.212
- Boiling Point: 421.8°Cat760mmHg
- Flash Point: 184.6°C
- Refractive Index: 1.457
- PSA: 106.59
Mannitol,6-deoxy-3-O-(hydroxymethyl)-4,5-O-methylene-, triacetate, L- (8CI) Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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