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D-Fructose-5-13C

CAT: 0572-TRC-F792505-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F792505-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
635325-97-2
Synonyms
Advantose FS 95-5-13C; D-(-)-Fructose-5-13C; D-(-)-Levulose-5-13C; D-Arabino-2-hexulose-5-13C; Fructose-5-13C; Fruit Sugar-5-13C; Fujifructo L 95-5-13C; Furucton-5-13C; Hi-Fructo 970-5-13C; Krystar-5-13C; Krystar 300-5-13C; Levulose-5-13C; Nevulose-5-13C; Sugar Fruit-5-13C;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
O[13C@@H]1[C@H](O)[C@@H](O)C(O)(CO)OC1
Molecular Formula
C513CH12O6
Molecular Weight
181.15
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(3R,4S,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CAS Number635325-97-2
PubChem CID169440806
IUPAC Name(3R,4S,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
Molecular FormulaC6H12O6
Molecular Weight181.15
XLogP-2.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
C1[13C@@H]([C@@H]([C@H](C(O1)(CO)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m0/s1/i3+1
InChIKey
LKDRXBCSQODPBY-WHQKMDFLSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CAS: 635325-97-2
CID: 169440806
Formula: C6H12O6
MW: 181.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.15
XLogP3-2.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass181.06674293
Monoisotopic Mass181.06674293
Topological Polar Surface Area110 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count1
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CS-T-55083D-Fructose-5 13C
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HY-N7092S5-01D-Fructose-4-13C
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