Pseudomonic acid F

C₂₄H₄₀O₉CAS 167842-64-0472.58 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Epoxide Ester Ether

Properties

Molecular formula: C₂₄H₄₀O₉
Molar mass: 472.58 g/mol
Exact mass: 472.2672 Da
logP: 1.81Crippen estimate
Polar surface area: 146.1 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 14
Stereocentres: S, S, S, S, S, R, R, Sin SMILES atom order
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

167842-64-0

SMILES

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCC(=O)O)/C)[C@H](C)O

InChIKey

MIVFEJHUAUQOLX-XUUZYBQDSA-N

InChI

InChI=1S/C24H40O9/c1-14(11-21(28)31-9-7-5-4-6-8-20(26)27)10-18-23(30)22(29)17(13-32-18)12-19-24(33-19)15(2)16(3)25/h11,15-19,22-25,29-30H,4-10,12-13H2,1-3H3,(H,26,27)/b14-11+/t15-,16-,17-,18-,19-,22+,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

1 names

DE(8-carboxyoctyl)6-carboxyhexylmupirocin

Work with Pseudomonic acid F

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

Mupirocin12650-69-0100 % similar Calcium mupirocin dihydrate115074-43-676 % similar Methyl glucose sesquistearate68936-95-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook