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Phthalaldehyde-d6

CAT: 0804-HY-W738417-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W738417-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Phthalaldehyde-d6 is the deuterium labeled Phthalaldehyde. Phthalaldehyde is a biochemical assay reagent, which modifies the amino acid and measure the derivative through HPLC. Phthalaldehyde forms a fluorescent compound with α-amino group[1][2].
CAS Number
68234-47-9
UNSPSC
12352005
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
[2H]C(C1=C(C([2H])=C(C([2H])=C1C([2H])=O)[2H])[2H])=O
Molecular Formula
C8D6O2
Molecular Weight
140.17
References & Citations
[1]Ikai K, et al., Prostaglandin D2 and prostaglandin D synthetase in mast cell deficient mice. Prostaglandins. 1984 Jun;27 (6) :877-85. |[2]Miyazawa S, et al., Complete nucleotide sequence of cDNA and predicted amino acid sequence of rat acyl-CoA oxidase. J Biol Chem. 1987 Jun 15;262 (17) :8131-7.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

o-Phthalaldehyde-d6
CAS Number68234-47-9
PubChem CID131667963
IUPAC Namedeuterio-(2,3,4,5-tetradeuterio-6-deuteriocarbonylphenyl)methanone
Molecular FormulaC8H6O2
Molecular Weight140.17
XLogP1.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity115
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)[2H])C(=O)[2H])[2H])[2H]
InChI
InChI=1S/C8H6O2/c9-5-7-3-1-2-4-8(7)6-10/h1-6H/i1D,2D,3D,4D,5D,6D
InChIKey
ZWLUXSQADUDCSB-MZWXYZOWSA-N
Chemical Structure
2D Structure
2D structure of o-Phthalaldehyde-d6
CAS: 68234-47-9
CID: 131667963
Formula: C8H6O2
MW: 140.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.17
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass140.074439906
Monoisotopic Mass140.074439906
Topological Polar Surface Area34.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity115
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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