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Trimethylsilyl-D- (+) -mannitol

CAT: 0024-sc-216012Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-216012Size:500 mg
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CAS Number
14317-07-8

Chemical Information

L-Sorbitol TMS
CAS Number14317-07-8
PubChem CID518921
IUPAC Nametrimethyl-[1,2,4,5,6-pentakis(trimethylsilyloxy)hexan-3-yloxy]silane
Molecular FormulaC24H62O6Si6
Molecular Weight615.3
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count36
Formal Charge0
Complexity582
SMILES
C[Si](C)(C)OCC(C(C(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI
InChI=1S/C24H62O6Si6/c1-31(2,3)25-19-21(27-33(7,8)9)23(29-35(13,14)15)24(30-36(16,17)18)22(28-34(10,11)12)20-26-32(4,5)6/h21-24H,19-20H2,1-18H3
InChIKey
USBJDBWAPKNPCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of L-Sorbitol TMS
CAS: 14317-07-8
CID: 518921
Formula: C24H62O6Si6
MW: 615.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight615.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass614.31619890
Monoisotopic Mass614.31619890
Topological Polar Surface Area55.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes