β-D-Galactose pentaacetate

C₁₆H₂₂O₁₁CAS 4163-60-4390.34 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₆H₂₂O₁₁
Molar mass: 390.34 g/mol
Exact mass: 390.1162 Da
Melting point: 141–142 °C
logP: -0.37Crippen estimate
Polar surface area: 140.7 Å²
H-bond donors / acceptors: 0 / 11
Rotatable bonds: 6
Stereocentres: R, S, R, S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4163-60-4

SMILES

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

InChIKey

LPTITAGPBXDDGR-LYYZXLFJSA-N

InChI

InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13+,14+,15-,16-/m1/s1

Weigh it out

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

Names and synonyms

19 names · show all

β-D-Galactopyranose, 1,2,3,4,6-pentaacetate
Galactopyranose, pentaacetate, β-D-
β-D-Galactopyranose, pentaacetate
1,2,3,4,6-Penta-O-acetyl-β-D-galactopyranose
Penta-O-acetyl-β-D-galactopyranose
Pentaacetyl-β-D-galactose
1,2,3,4,6-Penta-O-acetyl-β-D-galactose
β-Pentaacetylgalactose
1,2,3,4,6-Penta-O-acetyl-β-D-galactopyranoside
NSC 119334
NSC 1353
2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl acetate
Tetra-O-acetyl-β-D-galactopyranosyl acetate
β-D-Galactopyranose peracetate
β-D-Galactopyranoside pentaacetate
1,2,3,4,6-Penta-O-acetyl-D-galactose
O-Pentaacetyl β-D-galactopyranoside
β-D-Galactopyranoside peracetate
Beta-D-Galactose pentaacetate

Work with β-D-Galactose pentaacetate

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.

Beta-D-Glucose pentaacetate604-69-3Diastereomer Alpha-D-glucose pentaacetate604-68-2Diastereomer Penta-O-acetyl-α-D-galactopyranose4163-59-1Diastereomer α-D-Mannose pentaacetate4163-65-9Diastereomer Glucose pentaacetate83-87-4Stereoisomer ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-8Stereoisomer

Similar compounds

1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-597 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-997 % similar Octaacetyl-β-maltose22352-19-891 % similar Alpha-D-cellobiose octaacetate5346-90-791 % similar 1,3,4,6-Tetra-O-acetyl-β-D-mannopyranose18968-05-373 % similar Alpha-Acetobromogalactose3068-32-469 % similar 2,3,4,6-Tetraacetyl-α-D-glucopyranosyl bromide572-09-869 % similar 2-Amino-2-deoxy-1,3,4,6-tetra-O-acetyl-β,D-glucopyranose hydrochloride10034-20-569 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5,6-Penta-O-acetyl-D-glucose3891-59-6 Monotropein5945-50-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook