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Synopsis

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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

Fructose, Acyclic, Pentakis-Tms

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 Formula	C₂₁H₅₂O₆Si₅
Molecular Weight	541.1 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	15
Exact Mass	540.26102205 g/mol
Monoisotopic Mass	540.26102205 g/mol
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	582
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1