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I-Inositol 1000mg

CAT: 0628-A16010-1000Size: 1000 mgDry Ice: NoHazardous: No
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CAT#:0628-A16010-1000Size:1000 mg
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CAS Number
87-89-8

Chemical Information

An inositol

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 mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and a Daphnia magna metabolite.

CAS Number87-89-8
PubChem CID892
IUPAC Namecyclohexane-1,2,3,4,5,6-hexol
Molecular FormulaC6H12O6
Molecular Weight180.16
XLogP-3.7
Topological Polar Surface Area121
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity104
SMILES
C1(C(C(C(C(C1O)O)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
InChIKey
CDAISMWEOUEBRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of An inositol
CAS: 87-89-8
CID: 892
Formula: C6H12O6
MW: 180.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.16
XLogP3-3.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass180.06338810
Monoisotopic Mass180.06338810
Topological Polar Surface Area121 Ų
Heavy Atom Count12
Formal Charge0
Complexity104
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes