(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
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![(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/789477b846964998b1ea92d9a4eb3890.png "(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid")
(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
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CAS No:
131474-38-9
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Formula:
C17H18N2O8S2
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Chemical Name:
(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
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Synonyms:
6-O-beta-D-galactopyranosyl-luciferin;D-luciferin-O-beta-galactopyranoside;luciferin-O-Gal;luciferin-O-galactopyranoside;Luciferin-O-galactopyranoside;131474-38-9;4-Thiazolecarboxylic acid, 2-(6-(beta-D-galactopyranosyloxy)-2-benzothiazolyl)-4,5-dihydro-, (4S)-;Luciferin-O-gal;Luciferin galactoside;4-Thiazolecarboxylic acid, 2-[6-(beta-D-galactopyranosyloxy)-2-benzothiazolyl]-4,5-dihydro-, (4S)-;D-Luciferin-O-beta-galactopyranoside;DTXSID10927214;ZINC31540224;6-O-beta-D-galactopyranosyl-luciferin;D-Luciferin-6-O b-D-galactopyranoside;D-Luciferin-6-O-b-D-galactopyranoside;(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid;2-[6-(Hexopyranosyloxy)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
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CAS No:
(4S)-2-[6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid Basic Attributes
442.5 g/mol
442.05045788 g/mol
Computed Properties
Molecular Weight:442.5
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:442.05045788
Monoisotopic Mass:442.05045788
Topological Polar Surface Area:216
Heavy Atom Count:29
Complexity:655
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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