Products for Research Use Only
RegisterLogin

1-Hydroxypyrene β-D-Glucuronide

CAT: 0024-sc-208645ASize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-208645ASize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
154717-05-2

Chemical Information

1-Hydroxypyrene glucuronide

1-Hydroxypyrene glucuronide is a member of pyrenes.

CAS Number154717-05-2
PubChem CID59751652
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid
Molecular FormulaC22H18O7
Molecular Weight394.4
XLogP3.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity626
SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
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
InChIKey
BUCREAQPYGLZLI-SXFAUFNYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxypyrene glucuronide
CAS: 154717-05-2
CID: 59751652
Formula: C22H18O7
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass394.10525291
Monoisotopic Mass394.10525291
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity626
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-2133431-Hydroxypyrene-d9 β-D-Glucuronide
sc-2061691-Hydroxypyrene
sc-2133421-Hydroxypyrene-d9
sc-213342A1-Hydroxypyrene-d9
sc-2086651-Naphthol β-D-glucuronide
sc-218000D- (-) -Norgestrel β-D-Glucuronide
sc-207648Ethyl 1-Thio-D-glucuronide
sc-505230Ethyl 1-Thio-β-D-glucuronide
sc-212916Scopoletin β-D-Glucuronide
sc-498152Fluconazole β-D-Glucuronide

Alternative Products

CatalogName
HY-W6992251-Hydroxypyrene β-D-glucuronide
H9111-53J1-Hydroxypyrene-b-D-glucuronide
TRC-H952750-10MG1-Hydroxypyrene Beta-D-Glucuronide
MH10188-011-Hydroxypyrene b-D-glucuronide
HY-W7662931-Hydroxypyrene β-D-glucuronide-d9
0144331-Hydroxypyrene-d9 β-D-Glucuronide
AR-P03293-011-Hydroxypyrene Glucuronide
TRC-H952752-0.5MG1-Hydroxypyrene-d9 Beta-D-Glucuronide
0144341-Hydroxypyrene β-D-Glucuronide Methyl Ester
TRC-H952760-10MG1-Hydroxypyrene beta-D-Glucuronide Methyl Ester

Popular Products