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L-Dehydro Ascorbic Acid-13C6

CAT: 1596-AR-A07173-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A07173-06Size:250 Units
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CAS Number
1217529-45-7
Molecular Formula
13C6H6O6
Molecular Weight
180.06
API Name
Ascorbic acid

Chemical Information

L-Dehydro Ascorbic Acid-13C6
CAS Number1217529-45-7
PubChem CID57369509
IUPAC Name(5R)-5-(1,2-dihydroxy(1,2-13C2)ethyl)(2,3,4,5-13C4)oxolane-2,3,4-trione
Molecular FormulaC6H6O6
Molecular Weight180.06
XLogP-1
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity244
SMILES
[13CH2]([13CH]([13C@@H]1[13C](=O)[13C](=O)[13C](=O)O1)O)O
InChI
InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2?,5-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
SBJKKFFYIZUCET-HFEVONBRSA-N
Chemical Structure
2D Structure
2D structure of L-Dehydro Ascorbic Acid-13C6
CAS: 1217529-45-7
CID: 57369509
Formula: C6H6O6
MW: 180.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.06
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass180.03656692
Monoisotopic Mass180.03656692
Topological Polar Surface Area101 Ų
Heavy Atom Count12
Formal Charge0
Complexity244
Isotope Atom Count6
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes