2,3,4,6-Tetra-O-pivaloyl-α-D-glucopyranosyl bromide

C₂₆H₄₃BrO₉CAS 81058-27-7579.53 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ether

Properties

Molecular formula: C₂₆H₄₃BrO₉
Molar mass: 579.53 g/mol
Exact mass: 578.2090 Da
logP: 4.57Crippen estimate
Polar surface area: 114.4 Å²
H-bond donors / acceptors: 0 / 9
Rotatable bonds: 5
Stereocentres: R, R, R, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H410 Very toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

81058-27-7

SMILES

CC(C)(C)C(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C

InChIKey

BSDBCYHGMPHOAL-SFFUCWETSA-N

InChI

InChI=1S/C26H43BrO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1

Weigh it out

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

Names and synonyms

3 names

α-D-Glucopyranosyl bromide, 2,3,4,6-tetrakis(2,2-dimethylpropanoate)
α-D-Glucopyranosyl bromide, tetrakis(2,2-dimethylpropanoate)
Tetra-O-pivaloyl-α-D-glucopyranosyl bromide

Work with 2,3,4,6-Tetra-O-pivaloyl-α-D-glucopyranosyl bromide

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

Alpha-Acetobromogalactose3068-32-457 % similar 2,3,4,6-Tetraacetyl-α-D-glucopyranosyl bromide572-09-857 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-838 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-138 % similar β-D-Galactose pentaacetate4163-60-438 % similar α-D-Mannose pentaacetate4163-65-938 % similar Alpha-D-glucose pentaacetate604-68-238 % similar Beta-D-Glucose pentaacetate604-69-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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