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17α-Estradiol Sulfate

CAT: 1299-RM-E201216-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-E201216-01Size:10 mg
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CAS Number
22139-70-4
Synonyms
(8R,9S,13S,14S,17R) -17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate
Molecular Formula
C18H24O5S
Molecular Weight
352.45
Target Alternative Name
Estradiol
Product Name Synonym
(8R,9S,13S,14S,17R) -17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl hydrogen sulfate

Chemical Information

17alfa-Estradiol Sulfate
CAS Number22139-70-4
PubChem CID11530890
IUPAC Name[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular FormulaC18H24O5S
Molecular Weight352.4
XLogP2.1
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity585
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
InChI
InChI=1S/C18H24O5S/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/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17-,18+/m1/s1
InChIKey
QZIGLSSUDXBTLJ-SFFUCWETSA-N
Chemical Structure
2D Structure
2D structure of 17alfa-Estradiol Sulfate
CAS: 22139-70-4
CID: 11530890
Formula: C18H24O5S
MW: 352.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass352.13444504
Monoisotopic Mass352.13444504
Topological Polar Surface Area92.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity585
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

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Alternative Products

CatalogName
M35216-0117β-Estradiol sulfate sodium
HY-141672-0117β-Estradiol sulfate (sodium)
BUP21789-0117ß-Estradiol sulfate sodium
AR-E01911-01Estradiol 17-beta-Sulfate
412254-0117β-Estradiol 17-Sulfate Potassium Salt
HY-W74326417β-Estradiol sulfate-d3 (sodium)
HY-141672S1-0117β-Estradiol sulfate-d4 (sodium)
sc-49685117α-Estradiol Sulfate Sodium Salt
412255-0117β-Estradiol 17-Sulfate Potassium Salt-d3
ME16717Estradiol 3-sulfate 17β-glucuronide dipotassium

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