2-amino-3-(3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-14-yl)-3-hydroxypropanoic acid
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2-amino-3-(3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-14-yl)-3-hydroxypropanoic acid
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CAS No:
61132-15-8
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Formula:
C13H20N4O10
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Chemical Name:
2-amino-3-(3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-14-yl)-3-hydroxypropanoic acid
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Synonyms:
chiriquitoxin;Chiridquitoxin;Chiriquitoxin;61132-15-8;DTXSID30976648;11-[Amino(carboxy)methyl]tetrodotoxin
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CAS No:
2-amino-3-(3-amino-5,9,12,13,14-pentahydroxy-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-14-yl)-3-hydroxypropanoic acid Basic Attributes
392.32 g/mol
392.11794285 g/mol
Computed Properties
Molecular Weight:392.32
XLogP3:-8.9
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:3
Exact Mass:392.11794285
Monoisotopic Mass:392.11794285
Topological Polar Surface Area:254
Heavy Atom Count:27
Complexity:723
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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