chempirical

Zanamivir azide triacetate methyl ester

C18H24N4O10CAS 130525-58-5456.41 g/mol

Open in Covalent MOL file
OONN+N−NHOOOOOOOO
AlkeneAzideEsterEther

Properties

Molecular formula
C18H24N4O10
Molar mass
456.41 g/mol
Exact mass
456.1492 Da
logP
0.89Crippen estimate
Polar surface area
195.8 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
9
Stereocentres
S, R, R, S, 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
130525-58-5
SMILES
COC(=O)C1=C[C@H](N=[N+]=[N-])[C@@H](N=C(C)O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1
InChIKey
ANKWFOHGBMGGAL-IIHMKKKESA-N
InChI
InChI=1S/C18H24N4O10/c1-8(23)20-15-12(21-22-19)6-13(18(27)28-5)32-17(15)16(31-11(4)26)14(30-10(3)25)7-29-9(2)24/h6,12,14-17H,7H2,1-5H3,(H,20,23)/t12-,14+,15+,16+,17+/m0/s1

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Names and synonyms

1 names
  • D-Glycero-D-galacto-non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-4-azido-3,4,5-trideoxy-, methyl ester, 7,8,9-triacetate

Work with Zanamivir azide triacetate methyl ester

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 azide6205-69-262 % similar 2-Acetamido-1,3,4,6-tetrakis-(O-acetyl)-2-deoxy-D-galactospyranose3006-60-851 % similar N-Acetyl-beta-D-glucosamine tetraacetate7772-79-451 % similar 1,3,4,6-Tetra-O-acetyl-2-acetamido-2-deoxy-α-D-glucopyranose7784-54-551 % similar 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-α-D-glucopyranosyl chloride3068-34-649 % similar 2-Azido-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate171032-74-948 % similar Penta-O-acetyl-D-gluconic acid17430-71-639 % similar 2,3,4,5,6-Penta-O-acetyl-D-glucose3891-59-638 % similar

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

Elsewhere

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