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1404-19-9

1404-19-9 structural image
Product Name: OLIGOMYCIN
Formula: C135H220O33
Synonyms: Oligomycin - CAS 1404-19-9 - Calbiochem
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H301:Acute toxicity,oral
H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P330:Rinse mouth.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

COMPUTED DESCRIPTORS

Molecular Weight 791.1 g/mol
XLogP3 7.1
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 3
Exact Mass 790.52311317 g/mol
Monoisotopic Mass 790.52311317 g/mol
Topological Polar Surface Area 180 Ų
Heavy Atom Count 56
Formal Charge 0
Complexity 1390
Isotope Atom Count 0
Defined Atom Stereocenter Count 18
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione is a natural product found in Streptomyces xinghaiensis, Streptomyces, and other organisms with data available.