Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2)
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![Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4fd2c872e0ce440284510b649af59571.png "Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2)")
Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2)
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CAS No:
63614-17-5
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Formula:
C17H26N2O3.1/2C6H10O8
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Chemical Name:
Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2)
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Synonyms:
Galactaric acid,compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2);2(1H)-Isoquinolinecarboxaldehyde,5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-,galactarate (2:1) (salt)
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CAS No:
Galactaric acid, compd. with 5-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2(1H)-isoquinolinecarboxaldehyde (1:2) Basic Attributes
516.5 g/mol
516.23190997 g/mol
Computed Properties
Molecular Weight:516.5
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:516.23190997
Monoisotopic Mass:516.23190997
Topological Polar Surface Area:217
Heavy Atom Count:36
Complexity:558
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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