(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7S)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-5-carbonyl]oxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7S)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-5-carbonyl]oxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d965ed2a67394dc6ba6947e95a9c081c.png "(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7S)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-5-carbonyl]oxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7S)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-5-carbonyl]oxyoxane-2-carboxylic acid
structure -
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CAS No:
125426-33-7
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Formula:
C23H25N3O8
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Chemical Name:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7S)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-5-carbonyl]oxyoxane-2-carboxylic acid
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Synonyms:
Org 3770 glucuronide;Org 3770 glucuronide, (R)-isomer;Org-3770-glucuronide;125426-33-7;Org 3770 glucuronide;Org-3770-glucuronide;DTXSID50925133;1-O-(3,4,10,14b-Tetrahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepine-2(1H)-carbonyl)hexopyranuronic acid
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CAS No:
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(7S)-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene-5-carbonyl]oxyoxane-2-carboxylic acid Basic Attributes
471.5 g/mol
471.16416476 g/mol
Computed Properties
Molecular Weight:471.5
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:471.16416476
Monoisotopic Mass:471.16416476
Topological Polar Surface Area:153
Heavy Atom Count:34
Complexity:771
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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