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Technical details about Fructose, Acyclic, Pentakis-Tms, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Fructose, (5tms), D-fructose, penta-tms, D-fructose, 1,3,4,5,6-pentakis-o-(trimethylsilyl)-, D-fructose, 5tms derivative, Fructose, acyclic, pentakis-tms, 1,3,4,5,6-pentakis-o-(trimethylsilyl)fructose, (d)-
Molecular Formula
C21H52O6Si5
Molecular Weight
541.1  g/mol
InChI Key
LDUCAYFXHYLHLP-ACRUOGEOSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R,4S,5S)-1,3,4,5,6-pentakis(trimethylsilyloxy)hexan-2-one
2.1.2 InChI
InChI=1S/C21H52O6Si5/c1-28(2,3)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20-,21-/m0/s1
2.1.3 InChI Key
LDUCAYFXHYLHLP-ACRUOGEOSA-N
2.1.4 Canonical SMILES
C[Si](C)(C)OCC(C(C(C(=O)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
2.1.5 Isomeric SMILES
C[Si](C)(C)OC[C@@H]([C@@H]([C@H](C(=O)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Fructose, (5tms)

2. D-fructose, Penta-tms

3. D-fructose, 1,3,4,5,6-pentakis-o-(trimethylsilyl)-

4. D-fructose, 5tms Derivative

5. Fructose, Acyclic, Pentakis-tms

6. 1,3,4,5,6-pentakis-o-(trimethylsilyl)fructose, (d)-

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 541.1 g/mol
Molecular Formula C21H52O6Si5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass540.26102205 g/mol
Monoisotopic Mass540.26102205 g/mol
Topological Polar Surface Area63.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1