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D-Glucose-13C6,d7

CAT: 0572-TRC-G595001-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G595001-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201417-01-8
Synonyms
D-Glucose-1,2,3,4,5,6-13C6-1,2,3,4,5,6,6-C-d7; D-[13C6,1,2,3,4,5,6,6-2H7]Glucose; D-Glucose-13C6-1,2,3,4,5,6,6-C-d7 (9CI); D-Glucose-13C6,d7; D-Glucose-13C6-1,2,3,4,5,6,6-d7
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
[2H][13C](=O)[13C@]([2H])(O)[13C@@]([2H])(O)[13C@]([2H])(O)[13C@]([2H])(O)[13C]([2H])([2H])O
Molecular Formula
13C6 2H7 H5 O6
Molecular Weight
193.15
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
Additionnal Information
IUPAC name: (2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-^{13}C_{6})hexan-1-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

D-Glucose-13C6,d7
CAS Number201417-01-8
PubChem CID71777455
IUPAC Name(2R,3S,4R,5R)-1,2,3,4,5,6,6-heptadeuterio-2,3,4,5,6-pentahydroxy(1,2,3,4,5,6-13C6)hexan-1-one
Molecular FormulaC6H12O6
Molecular Weight193.16
XLogP-2.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity138
SMILES
[2H][13C](=O)[13C@@]([2H])([13C@]([2H])([13C@@]([2H])([13C@@]([2H])([13C]([2H])([2H])O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1/i1+1D,2+1D2,3+1D,4+1D,5+1D,6+1D
InChIKey
GZCGUPFRVQAUEE-VVZLUFAVSA-N
Chemical Structure
2D Structure
2D structure of D-Glucose-13C6,d7
CAS: 201417-01-8
CID: 71777455
Formula: C6H12O6
MW: 193.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.16
XLogP3-2.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass193.12745433
Monoisotopic Mass193.12745433
Topological Polar Surface Area118 Ų
Heavy Atom Count12
Formal Charge0
Complexity138
Isotope Atom Count13
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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