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87-89-8

87-89-8 structural image
Product Name: Inositol
Formula: C6H12O6
Synonyms: myo-Inositol;ELISA;Hexahydroxycyclohexane, Cyclohexanehexol, meso-Inositol, Myo-Inosit;i-Inositol;meso-Inositol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder
Boiling Point 291.33 ºC
Melting Point 224.5 ºC
Solubility 0.17 mg/ml
LogP -2.08
Collision Cross Section 148.2 Ų [M+Na]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Kovats Retention Index 1974 1981
Chemical Classes Biological Agents -> Monosaccharides and Derivatives

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 180.16 g/mol
XLogP3 -3.7
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 180.06338810 g/mol
Monoisotopic Mass 180.06338810 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 104
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Myo-inositol is an inositol having myo- configuration. It has a role as a member of compatible osmolytes, a nutrient, an EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor, a human metabolite, a Daphnia magna metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite.

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