Inositol

C6H12O6CAS 87-89-8180.16 g/mol

Open in Covalent MOL file
HOHOOHOHOHHO
Alcohol

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
Density
1.75 g/mL
Melting point
225 °C
logP
-3.83Crippen estimate
Polar surface area
121.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
0
Stereocentres
S, R, r, S, R, sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
87-89-8
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIKey
CDAISMWEOUEBRE-GPIVLXJGNA-N
InChI
InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

30 names · show all
  • Myo-Inositol
  • Inositol, myo-
  • cis-1,2,3,5-trans-4,6-Cyclohexanehexol
  • Dambose
  • Meat sugar
  • Mesoinosite
  • Mesoinositol
  • Myoinosite
  • Myoinositol
  • Nucite
  • Phaseomannite
  • Phaseomannitol
  • meso-Inositol
  • MI
  • i-Inositol
  • iso-Inositol
  • Inosital
  • Scyllite
  • Mesoinosit
  • Mesol
  • Mesovit
  • Inositene
  • Inositina
  • Inosite
  • Cyclohexitol
  • Mouse antialopecia factor
  • Rat antispectacled eye factor
  • Bios I
  • Cyclohexanehexol
  • Freeda

Work with Inositol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1D-Chiro-inositol643-12-9Stereo not defined Hexahydroxycyclohexane6917-35-7Stereo not defined Scyllo-Inositol488-59-5Diastereomer

Similar compounds

Conduritol B epoxide6090-95-550 % similar Dicyclopropylmethanol14300-33-542 % similar 2,4-Dimethyl-3-pentanol600-36-242 % similar Pinitol10284-63-640 % similar Sequoyitol523-92-240 % similar Quebrachitol642-38-640 % similar Ribitol488-81-333 % similar D-Arabitol488-82-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Mannose10030-80-5 D-Galactopyranose10257-28-0 L-Galactose15572-79-9 Altrose1990-29-0 L-Talose23567-25-1 Allose2595-97-3 Talose2595-98-4 Beta-D-fructose308066-66-2

Elsewhere

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