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

C₆H₁₂O₆CAS 62147-49-3180.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂O₆
Molar mass: 180.16 g/mol
Exact mass: 180.0634 Da
logP: -2.60Crippen estimate
Polar surface area: 99.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

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+

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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 Pentaerythritol115-77-532 % similar 2-Methyl-1,2-propanediol558-43-030 % 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 Mannose3458-28-4

Elsewhere

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