1D-Chiro-inositol

C₆H₁₂O₆CAS 643-12-9180.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₆
Molar mass: 180.16 g/mol
Exact mass: 180.0634 Da
Density: 1.598 g/mL (at 20 °C)
Melting point: 249.5 °C
logP: -3.83Crippen estimate
Polar surface area: 121.4 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 0

Identifiers

CAS number

643-12-9

SMILES

OC1C(O)C(O)C(O)C(O)C1O

InChIKey

CDAISMWEOUEBRE-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H

Weigh it out

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

Names and synonyms

5 names

D-Chiro-Inositol
Inositol, D-chiro-
D-Inositol
(+)-Chiro-Inositol
D-(+)-Chiro-Inositol

Work with 1D-Chiro-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 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

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