(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol
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![(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/819fcf17251644b0987541115c0075b6.png "(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol")
(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol
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CAS No:
54933-35-6
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Formula:
C17H27NO4
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Chemical Name:
(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol
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Synonyms:
2,3-Naphthalenediol,5-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-,(2S,3R)-;2,3-Naphthalenediol,5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-,[2S-[2α,3α,5(R*)]]-;(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol;SQ 12150
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CAS No:
Description
(2S,3R,2'S)-nadolol is an aromatic ether, being the (2S)-3-(tert-butylamino)-2-hydroxypropyl ether of the phenolic hydroxy group of (6S,7R)-5,6,7,8-tetrahydronaphthalene-1,6,7-triol. It is a triol, a secondary amino compound and an aromatic ether. It is an enantiomer of a (2R,3S,2'R)-nadolol.
(2S,3R)-5-[(2S)-3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-1,2,3,4-tetrahydro-2,3-naphthalenediol Basic Attributes
309.4 g/mol
309.40
DTXSID90203447
Computed Properties
Molecular Weight:309.4
XLogP3:0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:309.19400834
Monoisotopic Mass:309.19400834
Topological Polar Surface Area:82
Heavy Atom Count:22
Complexity:344
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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