((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate

C₁₆H₂₂O₁₁CAS 25878-60-8390.34 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
logP: -0.37Crippen estimate
Polar surface area: 140.7 Å²
H-bond donors / acceptors: 0 / 11
Rotatable bonds: 6
Stereocentres: R, S, S, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

25878-60-8

SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChIKey

LPTITAGPBXDDGR-RRMRAIHUSA-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

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Names and synonyms

1 names

D-Galactopyranose pentaacetate

Work with ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate

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.

Glucose pentaacetate83-87-4Diastereomer Beta-D-Glucose pentaacetate604-69-3Stereoisomer β-D-Galactose pentaacetate4163-60-4Stereoisomer Alpha-D-glucose pentaacetate604-68-2Stereoisomer Penta-O-acetyl-α-D-galactopyranose4163-59-1Stereoisomer α-D-Mannose pentaacetate4163-65-9Stereoisomer

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

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