Levoglucosan

C₆H₁₀O₅CAS 498-07-7162.14 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₆H₁₀O₅
Molar mass: 162.14 g/mol
Exact mass: 162.0528 Da
Melting point: 183 °C
logP: -2.18Crippen estimate
Polar surface area: 79.2 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 0
Stereocentres: S, R, R, R, Sin SMILES atom order

Identifiers

CAS number

498-07-7

SMILES

O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O

InChIKey

TWNIBLMWSKIRAT-VFUOTHLCSA-N

InChI

InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1

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Names and synonyms

10 names

β-D-Glucopyranose, 1,6-anhydro-
D-Glucose, 1,6-anhydro-
1,6-Anhydro-β-D-glucopyranose
6,8-Dioxabicyclo[3.2.1]octane, β-D-glucopyranose deriv.
Leucoglucosan
1,6-Anhydro-β-D-glucose
1,6-Anhydroglucose
1,6-Anhydro-D-glucose
NSC 46243
1,6-Anhydro-D-glucopyranoside

Work with Levoglucosan

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

Isomaltitol534-73-656 % similar Isomalt64519-82-056 % similar Trehalose99-20-752 % similar Manninotriose13382-86-050 % similar Raffinose512-69-650 % similar Rosarin84954-93-848 % similar 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-148 % similar Octyl α-D-glucopyranoside29781-80-447 % similar

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

Same formula

Diethyl pyrocarbonate1609-47-8 Dimethyl malate38115-87-6 2-C-Methyl-D-ribono-1,4-lactone492-30-8 1,3-Dimethyl 2-methoxypropanedioate5018-30-4 3-Hydroxy-3-methylglutaric acid503-49-1 Conduritol B epoxide6090-95-5 1,3,5-Benzenetriol, hydrate (1:2)6099-90-7 (S)-(-)-Dimethyl malate617-55-0

Elsewhere

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