Methyl alpha-D-galactopyranoside monohydrate

C₇H₁₆O₇CAS 34004-14-3212.20 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₇H₁₆O₇
Molar mass: 212.20 g/mol
Exact mass: 212.0896 Da
logP: -3.39Crippen estimate
Polar surface area: 130.9 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 2
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

34004-14-3

SMILES

CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O.O

InChIKey

QFDRIBVAVJNJDT-SAPZPLNPSA-N

InChI

InChI=1S/C7H14O6.H2O/c1-12-7-6(11)5(10)4(9)3(2-8)13-7;/h3-11H,2H2,1H3;1H2/t3-,4+,5+,6-,7+;/m1./s1

Weigh it out

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Names and synonyms

1 names

(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol hydrate

Work with Methyl alpha-D-galactopyranoside monohydrate

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.

Methyl-α-D-galactose3396-99-4Anhydrous Methyl α-D-glucopyranoside97-30-3Anhydrous, diastereomer Methyl α-D-mannopyranoside617-04-9Anhydrous, diastereomer Methyl β-D-glucopyranoside709-50-2Anhydrous, diastereomer Methyl beta-D-galactopyranoside1824-94-8Anhydrous, diastereomer

Similar compounds

Methyl β-D-ribofuranoside7473-45-286 % similar α-D-Glucopyranosyl α-D-glucopyranoside dihydrate6138-23-473 % similar Trehalose99-20-763 % similar Lactitol monohydrate81025-04-958 % similar α-D-Glucose monohydrate14431-43-758 % similar Glucosylglycerol22160-26-558 % similar α-D-Glucose monohydrate5996-10-158 % similar Lactose, monohydrate10039-26-656 % similar

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

Elsewhere

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