Cas no 253328-54-0 (b-D-xylo-Hexopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-,tetraacetate, (4x)-(9CI))
253328-54-0 structure
Product Name:b-D-xylo-Hexopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-,tetraacetate, (4x)-(9CI)
CAS No:253328-54-0
MF:C9H16O6
MW:220.219743728638
CID:257520
PubChem ID:11862700
Update Time:2025-04-19
b-D-xylo-Hexopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-,tetraacetate, (4x)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- b-D-xylo-Hexopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-,tetraacetate, (4x)-(9CI)
- DTXSID00948175
- 253328-54-0
-
- Inchi： 1S/C9H16O6/c1-9(2)14-7-5(12)6(4(11)3-10)13-8(7)15-9/h4-8,10-12H,3H2,1-2H3/t4-,5-,6+,7+,8-/m1/s1
- InChI Key： BGGCXQKYCBBHAH-QQGCVABSSA-N
- SMILES： O1[C@@H]([C@@H](CO)O)[C@H]([C@H]2[C@H]1OC(C)(C)O2)O
Computed Properties
- Exact Mass: 220.094688
- Monoisotopic Mass: 220.094688
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.3
- Topological Polar Surface Area: 88.4
Experimental Properties
- Density: 1.359
- Boiling Point: 422.43°C at 760 mmHg
- Flash Point: 209.279°C
- Refractive Index: 1.518
b-D-xylo-Hexopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-,tetraacetate, (4x)-(9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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