Inositol

C₆H₁₂O₆CAS 87-89-8180.16 g/mol

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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 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 0
Stereocentres: S, R, r, S, R, sin SMILES atom order

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

Similar compounds

Scyllo-inositol488-59-5100 % similar 1D-Chiro-inositol643-12-9100 % similar Hexahydroxycyclohexane6917-35-7100 % similar 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

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 Mannose3458-28-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia