2-Methoxyestrone 3-glucuronide
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2-Methoxyestrone 3-glucuronide
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CAS No:
25577-70-2
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Formula:
C25H32O9
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Chemical Name:
2-Methoxyestrone 3-glucuronide
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Synonyms:
β-D-Glucopyranosiduronic acid,2-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl;Glucopyranosiduronic acid,2-methoxy-17-oxoestra-1,3,5(10)-trien-3-yl,β-D-;Estrane,β-D-glucopyranosiduronic acid deriv.;2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid;2-Methoxyestrone,glucuronide;2-Methoxyestrone 3-glucuronide;2-Methoxyestrone glucosiduronate;21809-49-4;31016-87-2
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CAS No:
Description
Solid
2-methoxyestrone 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is 2-methoxyestrone having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a mouse metabolite. It is a 17-oxo steroid, a beta-D-glucosiduronic acid, an aromatic ether and a steroid glucosiduronic acid. It derives from a 2-methoxyestrone. It is a conjugate acid of a 2-methoxyestrone 3-O-(beta-D-glucuronide)(1-).
2-Methoxyestrone 3-glucuronide Use and Manufacturing
Lipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glucuronides [ST0501]
Computed Properties
Molecular Weight:476.5
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:476.20463259
Monoisotopic Mass:476.20463259
Topological Polar Surface Area:143
Heavy Atom Count:34
Complexity:803
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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