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D-Glucitol-13C6

CAT: 0572-TRC-G415802-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G415802-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121067-66-1
Synonyms
D-Sorbitol-13C6; Glucarine-13C6; Esasorb-13C6; Cholaxine-13C6; Karion-13C6; Sionite-13C6; Sionon-13C6
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O[13CH2][13C@H](O)[13C@@H](O)[13C@H](O)[13C@H](O)[13CH2]O
Molecular Formula
13C6 H14 O6
Molecular Weight
188.128
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
Additionnal Information
IUPAC name: (2R,3R,4R,5S)-(1,2,3,4,5,6-^{13}C_{6})hexane-1,2,3,4,5,6-hexol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

D-Glucitol-13C6
CAS Number121067-66-1
PubChem CID71309251
IUPAC Name(2S,3R,4R,5R)-(1,2,3,4,5,6-13C6)hexane-1,2,3,4,5,6-hexol
Molecular FormulaC6H14O6
Molecular Weight188.13
XLogP-3.1
Topological Polar Surface Area121
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity105
SMILES
[13CH2]([13C@H]([13C@H]([13C@@H]([13C@H]([13CH2]O)O)O)O)O)O
InChI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
FBPFZTCFMRRESA-GVZKVBLJSA-N
Chemical Structure
2D Structure
2D structure of D-Glucitol-13C6
CAS: 121067-66-1
CID: 71309251
Formula: C6H14O6
MW: 188.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.13
XLogP3-3.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass188.09916717
Monoisotopic Mass188.09916717
Topological Polar Surface Area121 Ų
Heavy Atom Count12
Formal Charge0
Complexity105
Isotope Atom Count6
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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