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3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate structure

CAS No:
64047-78-5
Formula:
C52H84N2O17
Chemical Name:
3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
Synonyms:
64047-78-5;Phenol, 3-(3-neopentyl-1-pentyl-3-pyrrolidinyl)-, citrate, hemihydrate;3-(3-Neopentyl-1-pentyl-3-pyrrolidinyl)phenol citrate hemihydrate;Pyrrolidine, 3-(m-hydroxyphenyl)-3-neopentyl-1-pentyl-, citrate, hemihydrate;DTXSID70982248;2-Hydroxypropane-1,2,3-tricarboxylic acid--3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol--water (2/2/1)

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3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate Basic Attributes

Molecular Weight：

1009.2 g/mol

Exact Mass：

1008.57699922 g/mol

Characteristics

PSA：

312 Å²

Computed Properties

Molecular Weight:1009.2
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:24
Exact Mass:1008.57699922
Monoisotopic Mass:1008.57699922
Topological Polar Surface Area:312
Heavy Atom Count:71
Complexity:563
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes

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Guide of 3-[3-(2,2-dimethylpropyl)-1-pentylpyrrolidin-3-yl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate

Basic Attributes
Characteristics
Computed Properties

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