Cas no 28441-61-4 (D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI))
28441-61-4 structure
Product Name:D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI)
CAS No:28441-61-4
MF:C21H32O9S
MW:460.53838634491
CID:266222
PubChem ID:425031
Update Time:2025-04-19
D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI) Chemical and Physical Properties
Names and Identifiers
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- D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI)
- [[5-(dimethoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl] 4-methylbenzenesulfonate
- 2,3:5,6-Di-O-isopropyliden-4p-toluolsulfonyl-D-glucosedimethylacetal
- AC1L8ET4
- NSC170195
- DTXSID40329909
- NSC-170195
- 28441-61-4
-
- Inchi: 1S/C21H32O9S/c1-13-8-10-14(11-9-13)31(22,23)30-16(15-12-26-20(2,3)27-15)17-18(19(24-6)25-7)29-21(4,5)28-17/h8-11,15-19H,12H2,1-7H3
- InChI Key: IMSKFQCOQDKJKO-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(=O)(=O)OC(C1COC(C)(C)O1)C1C(C(OC)OC)OC(C)(C)O1
Computed Properties
- Exact Mass: 460.17676
- Monoisotopic Mass: 460.177
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 690
- 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: 2.1
- Topological Polar Surface Area: 107?2
Experimental Properties
- Density: 1.2
- Boiling Point: 546.4°C at 760 mmHg
- Flash Point: 284.2°C
- Refractive Index: 1.5
- PSA: 98.75
- LogP: 3.44020
D-Glucose,2,3:5,6-bis-O-(1-methylethylidene)-, dimethyl acetal, 4-methylbenzenesulfonate(9CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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
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