(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05b1662f3f9c4d02933cae9792c201b7.png "(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
18430-06-3
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Formula:
C18H22N2O8
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
N-ACETYL SEROTONIN B-D-GLUCURONIDE; N-Acetyl Serotonin |A-D-Glucuronide; 3-[2-(Acetylamino)ethyl]-1H-indol-5-yl-|A-D-glucopyranosiduronic Acid;
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CAS No:
(2S,3S,4S,5R,6S)-6-[[3-(2-acetamidoethyl)-1H-indol-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
394.37600
394.13761566
WUG64S3DC0
Computed Properties
Molecular Weight:394.4
XLogP3:-0.3
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:394.13761566
Monoisotopic Mass:394.13761566
Topological Polar Surface Area:161
Heavy Atom Count:28
Complexity:576
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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