4-Aminophenyl-beta-galactoside

C₁₂H₁₇NO₆CAS 5094-33-7271.27 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether Primary amine

Properties

Molecular formula: C₁₂H₁₇NO₆
Molar mass: 271.27 g/mol
Exact mass: 271.1056 Da
logP: -1.55Crippen estimate
Polar surface area: 125.4 Å²
H-bond donors / acceptors: 5 / 7
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

5094-33-7

SMILES

C1=CC(=CC=C1N)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O

InChIKey

MIAKOEWBCMPCQR-YBXAARCKSA-N

InChI

InChI=1S/C12H17NO6/c13-6-1-3-7(4-2-6)18-12-11(17)10(16)9(15)8(5-14)19-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12-/m1/s1

Weigh it out

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

Names and synonyms

1 names

4-Aminophenyl-beta-D-galactopyranoside

Work with 4-Aminophenyl-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

Arbutin497-76-774 % similar α-Arbutin84380-01-874 % similar Phenyl β-D-glucopyranoside1464-44-471 % similar Phenyl β-D-galactopyranoside2818-58-871 % similar Phenyl α-D-glucopyranoside4630-62-071 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-770 % similar Methylarbutin6032-32-270 % similar Gastrodin62499-27-870 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook