1,3:4,6-Di-O-benzylidene-D-mannitol

C₂₀H₂₂O₆CAS 28224-73-9358.39 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₂₀H₂₂O₆
Molar mass: 358.39 g/mol
Exact mass: 358.1416 Da
Melting point: 146–149 °C
logP: 1.94Crippen estimate
Polar surface area: 77.4 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 3
Stereocentres: R, R, R, Rin SMILES atom order

Identifiers

CAS number

28224-73-9

SMILES

O[C@@H]1COC(c2ccccc2)O[C@H]1[C@@H]1OC(c2ccccc2)OC[C@H]1O

InChIKey

NVEGGHPETXMRSV-NIJYPJQDSA-N

InChI

InChI=1S/C20H22O6/c21-15-11-23-19(13-7-3-1-4-8-13)25-17(15)18-16(22)12-24-20(26-18)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17-,18-,19?,20?/m1/s1

Weigh it out

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

Names and synonyms

3 names

D-Mannitol, 1,3:4,6-bis-O-(phenylmethylene)-
Mannitol, 1,3:4,6-di-O-benzylidene-, D-
1,3:4,6-Bis-O-(phenylmethylene)-D-mannitol

Work with 1,3:4,6-Di-O-benzylidene-D-mannitol

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

4-Methyl-2-phenyl-1,3-dioxolane2568-25-455 % similar Methyl 4,6-O-benzylidene-α-D-glucopyranoside3162-96-751 % similar Isomannide641-74-741 % similar Isosorbide652-67-541 % similar (Diethoxymethyl)benzene774-48-141 % similar Bis(3,4-dimethylbenzylidene) sorbitol135861-56-241 % similar (+)-Styrene oxide20780-53-441 % similar (S)-Styrene oxide20780-54-541 % similar

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

Same formula

Triptonide38647-11-9 Columbin546-97-4

Elsewhere

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