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

C₁₄H₁₇NO₆CAS 126787-65-3295.29 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₄H₁₇NO₆
Molar mass: 295.29 g/mol
Exact mass: 295.1056 Da
logP: -0.65Crippen 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

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

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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

Similar compounds

6-Chloro-1H-indol-3-yl β-D-galactopyranoside138182-21-570 % 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 β-D-glucopyranoside15548-60-458 % similar X-Gal7240-90-658 % similar Phenyl β-D-glucopyranoside1464-44-458 % similar Phenyl β-D-galactopyranoside2818-58-858 % similar

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

Same formula

Indican487-60-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook