(6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate

C₁₆H₂₀O₆CAS 10300-20-6308.33 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₆H₂₀O₆
Molar mass: 308.33 g/mol
Exact mass: 308.1260 Da
logP: 1.73Crippen estimate
Polar surface area: 63.2 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 4

Identifiers

CAS number

10300-20-6

SMILES

CC1(OC2C(C(OC2O1)COC(=O)C3=CC=CC=C3)OC)C

InChIKey

YRTLYGPRRYJPFB-UHFFFAOYSA-N

InChI

InChI=1S/C16H20O6/c1-16(2)21-13-12(18-3)11(20-15(13)22-16)9-19-14(17)10-7-5-4-6-8-10/h4-8,11-13,15H,9H2,1-3H3

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Names and synonyms

1 names

5-O-Benzoyl-1,2-O-isopropylidene-3-O-methyl-alpha-D-ribofuranose

Work with (6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl benzoate

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

1-O-Acetyl-2,3,5-tri-O-benzoyl-β-L-ribofuranose3080-30-652 % similar 1-O-Acetyl-2,3,5-tri-O-benzoyl-beta-D-ribofuranose6974-32-952 % similar 1,3,5-Tri-O-benzoyl-α-D-ribofuranose22224-41-551 % similar 2′-Fluoro-2′-deoxy-1,3,5-tri-O-benzoyl-α-D-arabinofuranose97614-43-251 % similar 1,2,3,5-Tetra-O-benzoyl-2-C-methyl-β-D-ribofuranose15397-15-645 % similar Isobutyl benzoate120-50-345 % similar (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid γ-lactone 3,5-dibenzoate874638-80-943 % similar 1,2-O-(1-Methylethylidene)-3,5,6-tris-O-(phenylmethyl)-α-D-glucofuranose53928-30-642 % similar

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

Same formula

6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one483-90-9

Elsewhere

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