Mupirocin

C26H44O9CAS 12650-69-0500.63 g/mol

Open in Covalent MOL file
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AlcoholAlkeneCarboxylic acidEpoxideEsterEther

Properties

Molecular formula
C26H44O9
Molar mass
500.63 g/mol
Exact mass
500.2985 Da
Melting point
77–78 °C
logP
2.59Crippen estimate
Polar surface area
146.1 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
16
Stereocentres
S, S, S, S, S, S, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
12650-69-0
SMILES
C/C(=CC(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
InChIKey
MINDHVHHQZYEEK-HBBNESRFSA-N
InChI
InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • L-Talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-
  • L-Talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, [2E,8[2S,3S(1S,2S)]]-
  • Pseudomonic acid
  • Pseudomonic acid A
  • trans-Pseudomonic acid
  • Bactroban
  • Bactroban ointment
  • BRL 4910A
  • Turixin
  • Bactoderm
  • Mupricin
  • Mupirocin neo-sensitabs

Work with Mupirocin

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Calcium mupirocin dihydrate115074-43-6Salt

Similar compounds

Pseudomonic acid F167842-64-0100 % 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