(E)-but-2-enedioic acid,1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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![(E)-but-2-enedioic acid,1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d36ecadc7a4a4030a17768c519d8d646.png "(E)-but-2-enedioic acid,1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol")
(E)-but-2-enedioic acid,1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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CAS No:
70265-29-1
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Formula:
C22H22N2O7
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Chemical Name:
(E)-but-2-enedioic acid,1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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Synonyms:
1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol; Fumarate d'((hydroxy-5' indolyl-3') methyl)-1 tetrahydro-1,2,3,4 isoquinoleine diol-6,7; 6,7-Isoquinolinediol,1,2,3,4-tetrahydro-1-((5-hydroxy-3-indolyl)methyl)-,(E)-2-butenedioate (1:1) salt;
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CAS No:
(E)-but-2-enedioic acid,1-[(5-hydroxy-1H-indol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Basic Attributes
426.41900
426.14270105
Computed Properties
Molecular Weight:426.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:426.14270105
Monoisotopic Mass:426.14270105
Topological Polar Surface Area:163
Heavy Atom Count:31
Complexity:540
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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