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112076-61-6

112076-61-6 structural image
Product Name: DEOXYCHOLIC-2,2,4,4-D4 ACID
Formula: C24H40O4
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H370:Specific target organ toxicity, single exposure
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 396.6 g/mol
XLogP3 4.9
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 396.31776674 g/mol
Monoisotopic Mass 396.31776674 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 605
Isotope Atom Count 4
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Deoxycholic acid-2,2,4,4-d4 is a deuterated compound and a deoxycholic acid.