chempirical

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

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-

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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

Similar compounds

1D-Chiro-inositol643-12-9100 % similar Hexahydroxycyclohexane6917-35-7100 % similar Inositol87-89-8100 % 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