5-Bromo-6-chloro-1H-indol-3-yl hexopyranoside
Properties
- Molecular formula
- C14H15BrClNO6
- Molar mass
- 408.63 g/mol
- Exact mass
- 406.9771 Da
- logP
- 0.76Crippen estimate
- Polar surface area
- 115.2 Ų
- 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
93863-88-8SMILES
C1=C2C(=CC(=C1Br)Cl)NC=C2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)OInChIKey
CHRVKCMQIZYLNM-MBJXGIAVSA-NInChI
InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11+,12+,13-,14-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 5-Bromo-6-chloro-3-indolyl-beta-D-galactoside
Work with 5-Bromo-6-chloro-1H-indol-3-yl hexopyranoside
Similar compounds
5-Bromo-3-indolyl-beta-galactoside97753-82-767 % similar
6-Chloro-1H-indol-3-yl β-D-galactopyranoside138182-21-566 % similar
(2S,3R,4S,5S,6R)-2-((6-Chloro-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol159954-28-666 % similar
1H-Indol-3-yl beta-D-galactopyranoside126787-65-363 % similar
Indoxyl-beta-D-glucoside487-60-563 % similar
5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt144110-43-059 % similar
5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-galactosaminide129572-48-147 % similar
5-Bromo-4-chloro-1H-indol-3-yl 2-deoxy-2-((1-hydroxyethylidene)amino)hexopyranoside4264-82-847 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds