gliotoxin

(1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione

CAS: 67-99-2

Molecular Formula	`C13H14N2O4S2`
Molecular Weight	326.4 g/mol
LogP	-0.7
Topological Polar Surface Area	132.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	326.0395
Heavy Atoms	21
Complexity	621.0

Chemical Identifiers

CAS Number	67-99-2
SMILES	`CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O`
InChIKey	`FIVPIPIDMRVLAY-RBJBARPLSA-N`

📖 Product Overview

gliotoxin (CAS: 67-99-2) is a chemical compound with molecular formula C13H14N2O4S2 and molecular weight 326.4 g/mol. Its IUPAC systematic name is (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3,5-diene-10,14-dione. LogP -0.7 Topological Polar Surface Area 132.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 326.0395 Heavy Atoms 21 Complexity 621.0 InChI Key: FIVPIPIDMRVLAY-RBJBARPLSA-N. SMILES: CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O.

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