4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine,dihydrate
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![4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine,dihydrate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/439e2b2e339d4a639e793355d5918cf0.png "4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine,dihydrate")
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine,dihydrate
structure -
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CAS No:
63886-18-0
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Formula:
C51H66N4O8++
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Chemical Name:
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine,dihydrate
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CAS No:
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid,1-[(1E,3E)-4-methyl-5-pyrrolidin-1-ium-1-ylidenepenta-1,3-dienyl]pyrrolidine,dihydrate Basic Attributes
863.09200
862.48806508
DTXSID20213473
Computed Properties
Molecular Weight:863.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:862.48806508
Monoisotopic Mass:862.48806508
Topological Polar Surface Area:130
Heavy Atom Count:63
Formal Charge:2
Complexity:867
Defined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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