Products for Research Use Only
RegisterLogin

4-Hydroxyestradiol 17-O-b-D-glucuronide

CAT: 0926-MH45077-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MH45077-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
90746-96-6
Smiles
C[C@]12CCC3C (CCc4c (O) c (O) ccc34) C1CCC2O[C@@H]5OC ([C@@H] (O) [C@@H] (O) C5O) C (=O) O
Molecular Formula
C24H32O9
Molecular Weight
464.51 g/mol
Controlled
No

Chemical Information

4-Hydroxyestradiol 17-O-b-D-glucuronide
CAS Number90746-96-6
PubChem CID172642002
IUPAC Name(3S,4R,6R)-6-[[(13S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC24H32O9
Molecular Weight464.5
XLogP2.2
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity747
SMILES
C[C@]12CCC3C(C1CCC2O[C@H]4C([C@@H]([C@@H](C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5O)O
InChI
InChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(25)17(26)13(10)3-2-12(11)14(24)5-7-16(24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11?,12?,14?,16?,18-,19+,20?,21?,23-,24+/m1/s1
InChIKey
OAPKIWXURZVERX-BPHRQVFESA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxyestradiol 17-O-b-D-glucuronide
CAS: 90746-96-6
CID: 172642002
Formula: C24H32O9
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP32.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass464.20463259
Monoisotopic Mass464.20463259
Topological Polar Surface Area157 Ų
Heavy Atom Count33
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
MH45070-012-Hydroxyestradiol-17-O-b-D-glucuronide
MH45076-014-Hydroxyestradiol-4-O-b-D-glucuronide
MH45075-014-Hydroxyestradiol-3-O-b-D-glucuronide
MH45068-012-Hydroxyestradiol-2-O-b-D-glucuronide
MH45069-012-Hydroxyestradiol 3-O-b-D-glucuronide
MF16730Fulvestrant 17-b-D-glucuronide
MF09945-01Fenirofibrate O-b-D-glucuronide
MS09952-01Scopolamine O-b-D-glucuronide
ME16705-01(-) -Emtricitabine O-b-D-glucuronide
MA28860-01Androstane-3-a,17 b-diol 3-O-b-D-glucuronide-D3

Alternative Products

CatalogName
293710-014-Hydroxyestradiol 17-O-b-D-glucuronide
293707-012-Hydroxyestradiol 17-O-b-D-glucuronide
293709-014-Hydroxyestradiol 4-O-b-D-glucuronide
293708-014-Hydroxyestradiol 3-O-b-D-glucuronide
4327534-Hydroxyestradiol 3-O-β-D-Glucuronide
293706-012-Hydroxyestradiol 3-O-b-D-glucuronide
293705-012-Hydroxyestradiol 2-O-b-D-glucuronide
TRC-H941605-1MG4-Hydroxyestradiol 3-O-Beta-D-Glucuronide
4327544-Hydroxyestradiol 4-O-β-D-Glucuronide Sodium Salt
TRC-H941610-5MG4-Hydroxyestradiol 4-O-Beta-D-Glucuronide Sodium Salt

Popular Products