2-hydroxypropane-1,2,3-tricarboxylic acid;(1S,2S,3R,5R,6R,9R)-11-methoxy-9-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid
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![2-hydroxypropane-1,2,3-tricarboxylic acid;(1S,2S,3R,5R,6R,9R)-11-methoxy-9-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3fced8ef07374522b8e8df6af7ae0a1a.png "2-hydroxypropane-1,2,3-tricarboxylic acid;(1S,2S,3R,5R,6R,9R)-11-methoxy-9-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid")
2-hydroxypropane-1,2,3-tricarboxylic acid;(1S,2S,3R,5R,6R,9R)-11-methoxy-9-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid
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CAS No:
101311-75-5
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Formula:
C24H30N2O11
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Chemical Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;(1S,2S,3R,5R,6R,9R)-11-methoxy-9-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid
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Synonyms:
D 52;D-52;isoquinocarcin;KW 2152;KW-2152;quinocarcin;quinocarmycin;quinocarmycin citrate;101311-75-5;Quinocarmycin citrate;3,6-Imino-1H-2-oxa-11c-azanaphth(1,2,3-cd)-azulene-5-carboxylic acid, 2a,3,4,5,6,6a,7,11b-octahydro-11-methoxy-12-methyl-, monocitrate;DTXSID80906051;2-Hydroxypropane-1,2,3-tricarboxylic acid--11-methoxy-11b-methyl-2a,3,4,5,6,6a,7,11b-octahydro-1H-3,6-epimino-2-oxa-11c-azanaphtho[1,2,3-cd]azulene-5-carboxylic acid (1/1)
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CAS No:
2-hydroxypropane-1,2,3-tricarboxylic acid;(1S,2S,3R,5R,6R,9R)-11-methoxy-9-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid Basic Attributes
522.5 g/mol
522.18495978 g/mol
Computed Properties
Molecular Weight:522.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:522.18495978
Monoisotopic Mass:522.18495978
Topological Polar Surface Area:203
Heavy Atom Count:37
Complexity:785
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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