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Methylsilanol ascorbate

CAT: 0013-GTR19209896-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209896-01Size:25 mg
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Description
Methylsilanol ascorbate
CAS Number
187991-39-5
Smiles
[C@@H] (CO[Si] (C) (O) O) (O) [C@@]1 (C (O) =C (O) C (=O) O1) [H]
Molecular Formula
C7H12O8Si
Molecular Weight
252.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methylsilanol ascorbate
CAS Number187991-39-5
PubChem CID71587606
IUPAC Name(2R)-2-[(1S)-2-[dihydroxy(methyl)silyl]oxy-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
Molecular FormulaC7H12O8Si
Molecular Weight252.25
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity324
SMILES
C[Si](O)(O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
InChI
InChI=1S/C7H12O8Si/c1-16(12,13)14-2-3(8)6-4(9)5(10)7(11)15-6/h3,6,8-10,12-13H,2H2,1H3/t3-,6+/m0/s1
InChIKey
DWMGLUVISSMERV-BBIVZNJYSA-N
Chemical Structure
2D Structure
2D structure of Methylsilanol ascorbate
CAS: 187991-39-5
CID: 71587606
Formula: C7H12O8Si
MW: 252.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.25
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass252.03014387
Monoisotopic Mass252.03014387
Topological Polar Surface Area137 Ų
Heavy Atom Count16
Formal Charge0
Complexity324
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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