Rel-(2R,5S)-2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol

C6H12O6CAS 62147-49-3180.16 g/mol

Open in Covalent MOL file
OHHOOOHOHO
AlcoholEther

Properties

Molecular formula
C6H12O6
Molar mass
180.16 g/mol
Exact mass
180.0634 Da
logP
-2.60Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
S, 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
62147-49-3
SMILES
OC[C@@]1(O)CO[C@](O)(CO)CO1
InChIKey
KEQUNHIAUQQPAC-OLQVQODUNA-N
InChI
InChI=1/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2/t5-,6+

Weigh it out

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

Names and synonyms

2 names
  • 1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, (2R,5S)-rel-
  • 1,4-Dioxane-2,5-dimethanol, 2,5-dihydroxy-, trans-

Work with Rel-(2R,5S)-2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol

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

Dipentaerythritol126-58-936 % similar 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-936 % similar 3-Methyl-3-oxetanemethanol3143-02-033 % similar 2,2,3,3-Tetrafluoro-1,4-butanediol425-61-633 % similar Pentaerythritol115-77-532 % similar 2-Methylpropane-1,2-diol558-43-030 % 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