5-Bromo-3-indolyl-beta-galactoside

C₁₄H₁₆BrNO₆CAS 97753-82-7374.19 g/mol

Open in Covalent MOL file

Acetal Alcohol Aryl halide Ether

Properties

Molecular formula: C₁₄H₁₆BrNO₆
Molar mass: 374.19 g/mol
Exact mass: 373.0161 Da
logP: 0.11Crippen estimate
Polar surface area: 115.2 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 3
Stereocentres: S, R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

97753-82-7

SMILES

C1=CC2=C(C=C1Br)C(=CN2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

InChIKey

LINMATFDVHBYOS-MBJXGIAVSA-N

InChI

InChI=1S/C14H16BrNO6/c15-6-1-2-8-7(3-6)9(4-16-8)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1

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Names and synonyms

1 names

5-Bromo-3-indolyl-beta-D-galactopyranoside

Work with 5-Bromo-3-indolyl-beta-galactoside

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

1H-Indol-3-yl beta-D-galactopyranoside126787-65-371 % similar Indoxyl-beta-D-glucoside487-60-571 % similar 5-Bromo-6-chloro-1H-indol-3-yl hexopyranoside93863-88-867 % similar 6-Chloro-1H-indol-3-yl β-D-galactopyranoside138182-21-565 % similar (2S,3R,4S,5S,6R)-2-((6-Chloro-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol159954-28-665 % similar X-Alpha-Gal107021-38-563 % similar 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-glucopyranoside108789-36-263 % similar 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside15548-60-463 % similar

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

Elsewhere

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