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2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate,methyl(2,3,4,5,6-pentahydroxyhexyl)azanium

2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate,methyl(2,3,4,5,6-pentahydroxyhexyl)azanium structure

CAS No:
19080-54-7
Formula:
C23H36I3N3O10
Chemical Name:
2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate,methyl(2,3,4,5,6-pentahydroxyhexyl)azanium
Synonyms:
Butyric acid,2-(3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy)-,compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1);

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2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate,methyl(2,3,4,5,6-pentahydroxyhexyl)azanium Basic Attributes

Molecular Weight：

895.25900

Exact Mass：

894.9535 g/mol

Characteristics

PSA：

224.89000

XLogP3：

1.42400

Boiling Point：

550ºC at 760 mmHg

Flash Point：

286.4ºC

Vapor Pressure：

6.24E-13mmHg at 25°C

Computed Properties

Molecular Weight:895.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:894.9535
Monoisotopic Mass:894.9535
Topological Polar Surface Area:225
Heavy Atom Count:39
Complexity:619
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[3,5-bis(ethylcarbamoyl)-2,4,6-triiodophenoxy]butanoate,methyl(2,3,4,5,6-pentahydroxyhexyl)azanium

Basic Attributes
Characteristics
Computed Properties

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