2-Acetamido-1,3,4,6-tetrakis-(O-acetyl)-2-deoxy-D-galactospyranose

C₁₆H₂₃NO₁₀CAS 3006-60-8389.36 g/mol

Open in Covalent MOL file

Acetal Ester Ether

Properties

Molecular formula: C₁₆H₂₃NO₁₀
Molar mass: 389.36 g/mol
Exact mass: 389.1322 Da
Melting point: 235 °C
logP: 0.05Crippen estimate
Polar surface area: 147.0 Å²
H-bond donors / acceptors: 1 / 10
Rotatable bonds: 6
Stereocentres: R, S, R, R, Rin SMILES atom order

Identifiers

CAS number

3006-60-8

SMILES

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

InChIKey

OVPIZHVSWNOZMN-IBEHDNSVSA-N

InChI

InChI=1S/C16H23NO10/c1-7(18)17-13-15(25-10(4)21)14(24-9(3)20)12(6-23-8(2)19)27-16(13)26-11(5)22/h12-16H,6H2,1-5H3,(H,17,18)/t12-,13-,14+,15-,16-/m1/s1

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

Names and synonyms

2 names

β-D-Galactopyranose, 2-(acetylamino)-2-deoxy-, 1,3,4,6-tetraacetate
Galactopyranose, 2-acetamido-2-deoxy-, 1,3,4,6-tetraacetate, β-D-

Work with 2-Acetamido-1,3,4,6-tetrakis-(O-acetyl)-2-deoxy-D-galactospyranose

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

2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-β-D-glucopyranosyl azide6205-69-267 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-564 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-964 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-163 % similar β-D-Galactose pentaacetate4163-60-463 % similar α-D-Mannose pentaacetate4163-65-963 % similar Penta-O-acetyl-α-D-glucopyranose604-68-263 % similar β-D-Glucose pentaacetate604-69-363 % similar

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

Same formula

N-Acetyl-β-D-glucosamine tetraacetate7772-79-4 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose7784-54-5

Elsewhere

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