[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate
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![[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2889bba2c667475688bcde4856ff32b6.png "[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate")
[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate
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CAS No:
53758-27-3
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Formula:
C27H45N3O5
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Chemical Name:
[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate
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Synonyms:
NSC281721;53758-27-3;DTXSID40330595;NSC-281721;Octadecanoic acid,3,3a,9a-tetrahydro-2-(hydroxymethyl)-6-imino-6H-furo[2',3':4,5]-oxazolo[3,2-a]pyrimidin-3-yl ester, monohydrochloride, (2R-(2.alpha.,3.beta.,3a.beta.,9a.beta.))- (MF1)
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CAS No:
[4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] octadecanoate Basic Attributes
491.7 g/mol
491.33592154 g/mol
281721
DTXSID40330595
Computed Properties
Molecular Weight:491.7
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:19
Exact Mass:491.33592154
Monoisotopic Mass:491.33592154
Topological Polar Surface Area:104
Heavy Atom Count:35
Complexity:726
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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