 Home > Encyclopedia > [(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride

[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride

[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride structure

CAS No:
40158-94-9
Formula:
C15H28ClNO4
Chemical Name:
[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride
Synonyms:
Cynaustraline hydrochloride;40158-94-9;Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, hydrochloride, (1R-(1-alpha(2S*,3S*),7a-beta))-

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[(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride Basic Attributes

Molecular Weight：

321.84 g/mol

Exact Mass：

321.1706861 g/mol

Characteristics

PSA：

71.2 Å²

Computed Properties

Molecular Weight:321.84
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:321.1706861
Monoisotopic Mass:321.1706861
Topological Polar Surface Area:71.2
Heavy Atom Count:21
Complexity:360
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate;chloride

Basic Attributes
Characteristics
Computed Properties

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