4,9-Anhydrotetrodotoxin

Name: 4,9-Anhydrotetrodotoxin
Brand: CoreyChem
SKU: CAS:13072-89-4
Price: Contact for pricing USD
Availability: InStock

(2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol

Also Known As: Anhydrotetrodotoxin|4,9-Anhydrotetrodotoxin|4,9-anhydro-TTX|Anhydroepitetrodotoxin|Anhydro-epitetrodotoxin|Tetrodotoxin, 4,9-anhydro-|MSK9128|4-beta,9-beta-Dideoxy-4,9-epoxytetrodotoxin|SID:135653500|Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4beta,9beta)-|(2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol|(4-beta,9-beta)-4,9-Dideoxy-4,9-epoxytetrodotoxin|Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, (4-beta,9-beta)-|(4r)-4-(hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one|6,10-Epoxy-4,8,11a-metheno-11aH-oxocino(4,3-f)(1,3,5)oxadiazepine-6,9,11-triol, 2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-, (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-|(2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo(7.4.1.13,12.05,11.05,14)pentadec-7-ene-2,4,12-triol|(2S,3S,4S,5R,11S,12S)-7-Amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-ene-2,4,12-triol|(4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-2-Amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-6,10-epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol|6,10-Epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol, 2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-, (4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-|7-amino-2,4-dihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6-aza-8-azoniapentacyclo(7.4.1.13,12.05,11.05,14)pentadec-7-en-12-olate

CAS: 13072-89-4

Molecular Formula	`C11H15N3O7`
Molecular Weight	301.091 g/mol
LogP	-4.47
Topological Polar Surface Area	159.02 Å²
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	1
Exact Mass	301.091
Heavy Atoms	21
Complexity	574.0

Chemical Identifiers

CAS Number	13072-89-4
SMILES	`C([C@]1([C@@H]2[C@H]([C@@]34[C@H]5[C@@](O2)(OC1C3C(O5)N=C(N4)N)O)O)O)O`

Product Overview

4,9-Anhydrotetrodotoxin (CAS 13072-89-4), with molecular formula C11H15N3O7 and molecular weight 301.091 g/mol. IUPAC: (2S,3S,4S,5R,11S,12S)-7-amino-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-ene-2,4,12-triol.

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