Gliotoxin G structure

Gliotoxin G

(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-diene-10,16-dione

Also Known As: Gliotoxin G|hydroxy-(hydroxymethyl)-methyl-[?]dione|(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-diene-10,16-dione|(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo(9.4.2.01,9.03,8)heptadeca-3,5-diene-10,16-dione|(3R)-2,3,5abeta,6alpha-Tetrahydro-6beta-hydroxy-3beta-(hydroxymethyl)-2-methyl-10H-3alpha,10aalpha-epitetrathiopyrazino[1,2-a]indole-1,4-dione|(5R)-7abeta,8-Dihydro-8beta-hydroxy-5-(hydroxymethyl)-14-methyl-12H-5beta,12abeta-(iminomethano)[1,2,3,4,6]tetrathiazocino[6,5-a]indole-6,13(5H)-dione|12H-5,12a-(Iminomethano)[1,2,3,4,6]tetrathiazocino[6,5-a]indole-6,13(5H)-dione, 7a,8-dihydro-8-hydroxy-5-(hydroxymethyl)-14-methyl-, (5R,7aS,8S,12aR)-

CAS: 53348-47-3
Molecular Formula C13H14N2O4S4
Molecular Weight 389.98364 g/mol
LogP 0.9927
Topological Polar Surface Area 81.08 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 1
Exact Mass 389.98364
Monoisotopic Mass 389.98364
Heavy Atoms 23
Complexity 655.8858

Chemical Identifiers

CAS Number 53348-47-3
SMILES CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SSSS3)CO)O

Product Overview

Gliotoxin G (CAS 53348-47-3), with molecular formula C13H14N2O4S4 and molecular weight 389.98364 g/mol. IUPAC: (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-diene-10,16-dione.

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