3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione
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![3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/08fab6ad705649df9b410817c80e5952.png "3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione")
3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione
structure -
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CAS No:
119694-49-4
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Formula:
C17H20N2O6S2
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Chemical Name:
3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione
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Synonyms:
Phomalirazine;119694-49-4;DTXSID60923069;10H-3,11a-(Iminomethano)(1,2,4)dithiazino(4,3-a)furo(3,2-f)indole-4,10,12(3H)-trione, 5a,6,8,9,10a,11-hexahydro-10a-hydroxy-3- (hydroxymethyl)-8,9,9-trimethyl-, (3R-(3alpha,5aalpha,8beta,10aalpha,11aalpha))-;4a,6-Dihydroxy-8-(hydroxymethyl)-2,3,3-trimethyl-2,3,4a,5,10a,11-hexahydro-4H-5a,8-epidithiofuro[3,2-f]pyrazino[1,2-a]indole-4,9(8H)-dione
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CAS No:
3-hydroxy-14-(hydroxymethyl)-6,6,7-trimethyl-8-oxa-15,16-dithia-12,18-diazapentacyclo[12.2.2.01,12.03,11.05,9]octadec-5(9)-ene-4,13,17-trione Basic Attributes
412.5 g/mol
412.07627871 g/mol
Computed Properties
Molecular Weight:412.5
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:412.07627871
Monoisotopic Mass:412.07627871
Topological Polar Surface Area:167
Heavy Atom Count:27
Complexity:858
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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