N-Azidoacetylmannosamine-tetraacylated

C₁₆H₂₂N₄O₁₀CAS 361154-30-5430.37 g/mol

Open in Covalent MOL file

Acetal Amide Azide Ester Ether

Properties

Molecular formula: C₁₆H₂₂N₄O₁₀
Molar mass: 430.37 g/mol
Exact mass: 430.1336 Da
logP: -0.50Crippen estimate
Polar surface area: 192.3 Å²
H-bond donors / acceptors: 1 / 11
Rotatable bonds: 8
Stereocentres: R, S, R, Sin 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

361154-30-5

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C

InChIKey

HGMISDAXLUIXKM-LIADDWGISA-N

InChI

InChI=1S/C16H22N4O10/c1-7(21)26-6-11-14(27-8(2)22)15(28-9(3)23)13(16(30-11)29-10(4)24)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13+,14-,15-,16?/m1/s1

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Names and synonyms

1 names

Ac4ManNAz

Work with N-Azidoacetylmannosamine-tetraacylated

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

D-Galactosamine pentaacetate76375-60-562 % similar 2-Azido-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate171032-74-960 % similar 1,2,3,5-Tetra-O-acetyl-β-D-ribofuranose13035-61-554 % similar 1,2,3,5-Tetra-O-acetyl--L-ribofuranose144490-03-954 % similar ((2R,3S,4S,5R)-3,4,5,6-Tetrakis(acetyloxy)oxan-2-yl)methyl acetate25878-60-853 % similar Penta-O-acetyl-α-D-galactopyranose4163-59-153 % similar β-D-Galactose pentaacetate4163-60-453 % similar α-D-Mannose pentaacetate4163-65-953 % similar

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

Elsewhere

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