Scyllo-Inositol

C6H12O6CAS 488-59-5180.16 g/mol

Open in Covalent MOL file
HOHOOHOHOHHO
Alcohol

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
Melting point
353 °C (decomposes)
logP
-3.83Crippen estimate
Polar surface area
121.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
0
Stereocentres
r, r, r, r, r, rin SMILES atom order

Hazards

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

Search the SDS library

Identifiers

CAS number
488-59-5
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
CDAISMWEOUEBRE-CDRYSYESNA-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.

Names and synonyms

9 names
  • Inositol, scyllo-
  • Scyllitol
  • Cocositol
  • Quercinitol
  • Scyllo-Cyclohexanehexol
  • AZD 103
  • ELND 005
  • AZD103
  • AZD-103

Work with Scyllo-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 Inositol87-89-8Diastereomer

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

PubChem CAS Common Chemistry NIST WebBook Wikipedia