cis-2,5-Bis(hydroxymethyl)tetrahydrofuran

C₆H₁₂O₃CAS 2144-40-3132.16 g/mol

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Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
Melting point: 130.5 °C
Boiling point: 134 °C (at 3 Torr)
logP: -0.48Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

2144-40-3

SMILES

OC[C@@H]1CC[C@H](CO)O1

InChIKey

YCZZQSFWHFBKMU-OLQVQODUNA-N

InChI

InChI=1/C6H12O3/c7-3-5-1-2-6(4-8)9-5/h5-8H,1-4H2/t5-,6+

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Names and synonyms

3 names

Erythro-Hexitol, 2,5-anhydro-3,4-dideoxy-
2,5-Furandimethanol, tetrahydro-, cis-
2,5-Anhydro-3,4-dideoxy-erythro-hexitol

Work with cis-2,5-Bis(hydroxymethyl)tetrahydrofuran

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

7-Oxabicyclo[2.2.1]heptane279-49-253 % similar Glycidol556-52-547 % similar (+)-Glycidol57044-25-447 % similar (-)-Glycidol60456-23-747 % similar Tetrahydrofurfuryl alcohol97-99-445 % similar 2-(Hydroxymethyl)tetrahydropyran100-72-143 % similar 3,4-Dihydro-2H-pyran-2-methanol3749-36-840 % similar 1,3-Dioxolane-4-methanol5464-28-839 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 tert-Butoxy acetic acid13211-32-0

Elsewhere

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