chempirical

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

C26H43BrO9CAS 81058-27-7579.53 g/mol

Open in Covalent MOL file
OOOBrOOOOOO
Alkyl halideEsterEther

Properties

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

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

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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

α-Acetobromogalactose3068-32-457 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-138 % similar β-D-Galactose pentaacetate4163-60-438 % similar α-D-Mannose pentaacetate4163-65-938 % similar Penta-O-acetyl-α-D-glucopyranose604-68-238 % similar β-D-Glucose pentaacetate604-69-338 % similar Glucose pentaacetate83-87-438 % similar Ethyl pivalate3938-95-238 % similar

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

Elsewhere

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