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1-Hydroxypyrene β-D-glucuronide-d9

CAT: 0804-HY-W766293Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-W766293Size:500 µg
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Description
1-Hydroxypyrene β-D-glucuronide-d9 is the deuterium labeled 1-Hydroxypyrene β-D-glucuronide. 1-Hydroxypyrene β-D-glucuronide is a biochemical reagent.
CAS Number
2079923-77-4
UNSPSC
12352005
Target
Biochemical Assay Reagents; Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O[C@@H]([C@@H]1O)[C@H](O[C@H]([C@@H]1O)OC2=C(C([2H])=C(C([2H])=C(C3=C4C5=C(C([2H])=C3[2H])[2H])[2H])C4=C2C([2H])=C5[2H])[2H])C(O)=O
Molecular Formula
C22H9D9O7
Molecular Weight
403.43
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

1-Hydroxypyrene-d9 Beta-D-Glucuronide
CAS Number2079923-77-4
PubChem CID71749318
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2,3,4,5,6,7,8,9,10-nonadeuteriopyren-1-yl)oxyoxane-2-carboxylic acid
Molecular FormulaC22H18O7
Molecular Weight403.4
XLogP3.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
[2H]C1=C(C2=C3C(=C1[2H])C(=C(C4=C(C(=C(C(=C43)C(=C2[2H])[2H])[2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H])[2H])[2H]
InChI
InChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
BUCREAQPYGLZLI-NEEJLFHISA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxypyrene-d9 Beta-D-Glucuronide
CAS: 2079923-77-4
CID: 71749318
Formula: C22H18O7
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass403.16174362
Monoisotopic Mass403.16174362
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
Isotope Atom Count9
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2133431-Hydroxypyrene-d9 β-D-Glucuronide
TRC-H952752-0.5MG1-Hydroxypyrene-d9 Beta-D-Glucuronide
GTR19246902-011-Hydroxypyrene β-D-glucuronide
TRC-KIT9867-1X1ML1-Hydroxypyrene-d9 Beta-D-Glucuronide (100ug/mL in Methanol)
TRC-H952702-2.5MG1-Hydroxypyrene-d9
H9111-53J1-Hydroxypyrene-b-D-glucuronide
TRC-H952750-10MG1-Hydroxypyrene Beta-D-Glucuronide
MH10188-011-Hydroxypyrene b-D-glucuronide
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