1H-Indol-3-yl beta-D-galactopyranoside

C14H17NO6CAS 126787-65-3295.29 g/mol

Open in Covalent MOL file
NHOOHOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C14H17NO6
Molar mass
295.29 g/mol
Exact mass
295.1056 Da
logP
-0.65Crippen 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
126787-65-3
SMILES
C1=CC=C2C(=C1)C(=CN2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChIKey
XVARCVCWNFACQC-MBJXGIAVSA-N
InChI
InChI=1S/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2/t10-,11+,12+,13-,14-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • 3-Indoxyl-beta-D-galactopyranoside

Work with 1H-Indol-3-yl beta-D-galactopyranoside

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Indoxyl-beta-D-glucoside487-60-5Diastereomer

Similar compounds

5-Bromo-3-indolyl-beta-galactoside97753-82-771 % similar 6-Chloro-1H-indol-3-yl β-D-galactopyranoside138182-21-570 % similar (2S,3R,4S,5S,6R)-2-((6-Chloro-1H-indol-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol159954-28-670 % similar 5-Bromo-6-chloro-1H-indol-3-yl hexopyranoside93863-88-863 % similar Salicin138-52-358 % similar X-Alpha-Gal107021-38-558 % similar 5-Bromo-4-chloro-1H-indol-3-yl alpha-D-glucopyranoside108789-36-258 % similar 5-Bromo-4-chloro-3-indolyl beta-D-glucopyranoside15548-60-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Z-D-Glu(ome)-oh27025-24-7 Z-Glu(ome)-oh4652-65-7 Z-Glu-ome5672-83-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook