Maduramycin ammonium

C₄₇H₈₃NO₁₇CAS 84878-61-5934.17 g/mol

Open in Covalent MOL file

Acetal Alcohol Carboxylic acid Ether

Properties

Molecular formula: C₄₇H₈₃NO₁₇
Molar mass: 934.17 g/mol
Exact mass: 933.5661 Da
logP: 4.48Crippen estimate
Polar surface area: 243.7 Å²
H-bond donors / acceptors: 5 / 17
Rotatable bonds: 13
Stereocentres: S, R, S, S, R, S, R, S, R, S, R, S, R, S, R, S, R, S, S, R, R, S, S, 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

84878-61-5

SMILES

C[C@H]1C[C@H]([C@@](O[C@@H]1[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]6[C@@H]([C@H]([C@@H]([C@](O6)(CC(=O)O)O)C)OC)OC)C)O)C)C)O[C@@H]7C[C@@H]([C@H]([C@@H](O7)C)OC)OC)(C)O)C.N

InChIKey

WQGJEAMPBSZCIF-HKSLRPGUSA-N

InChI

InChI=1S/C47H80O17.H3N/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50;/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50);1H3/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+;/m0./s1

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Names and synonyms

1 names

Maduramicin

Work with Maduramycin ammonium

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

Monensin17090-79-849 % similar Monensin sodium22373-78-047 % similar Nigericin28380-24-737 % similar Sodium nigericin28643-80-335 % similar

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

Elsewhere

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