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Estrone sulfate potassium

CAT: 0013-GTR19213541-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213541-01Size:2 mg
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Description
Estrone sulfate potassium salt is a naturally occurring, sulfated estrogen conjugate. It is widely used as a research standard in endocrinology and oncology for studying estrogen metabolism, receptor interactions, and hormone-dependent processes in both in vitro and in vivo experimental models.
CAS Number
1240-04-6
Product Name Alternative
EndogenousMetabolite, Endogenous Metabolite
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
H2O:0.1 mg/mL (0.26 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.49 mM) ; DMSO:90 mg/mL (231.65 mM)
Smiles
C[C@@]12[C@] (CCC2=O) ([H]) [C@@]3 ([H]) [C@@] (CC1) ([H]) C4=CC=C (OS (=O) ([O-]) =O) C=C4CC3.[K+]
Molecular Formula
C18H21KO5S
Molecular Weight
388.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Potassium estrone sulfate
CAS Number1240-04-6
PubChem CID23674502
IUPAC Namepotassium [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
Molecular FormulaC18H21KO5S
Molecular Weight388.5
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity630
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[K+]
InChI
InChI=1S/C18H22O5S.K/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1
InChIKey
CUQHOFAEIPGLBH-ZFINNJDLSA-M
Chemical Structure
2D Structure
2D structure of Potassium estrone sulfate
CAS: 1240-04-6
CID: 23674502
Formula: C18H21KO5S
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass388.07467642
Monoisotopic Mass388.07467642
Topological Polar Surface Area91.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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RM-E050803-01Potassium Estrone Sulfate
BUP01881-01Estrone sulfate potassium
HY-113293A-01Estrone sulfate (potassium)
448505Estrone 3-Sulfate Potassium Salt
546679Estrone Sulfate
MBS3616672-01Estrone sulfate sodium
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HY-113293B-01Estrone sulfate (sodium)
577717Estrone sodium sulfate

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