(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
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(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
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CAS No:
20267-93-0
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Formula:
C15H25NO6
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Chemical Name:
(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
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Synonyms:
Indicine N-oxide; lycopsamine A N-oxide; INDI; Echinatine,N-oxide;
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CAS No:
(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate Basic Attributes
315.36200
315.16818752 g/mol
136053
Computed Properties
Molecular Weight:315.36
XLogP3:-1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:315.16818752
Monoisotopic Mass:315.16818752
Topological Polar Surface Area:105
Heavy Atom Count:22
Complexity:479
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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