Dihydro Mupirocin
Basic information
- CAS
1246812-11-2- Standard SMILES
CC(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
BLLCNILVBRPJAH-OAOSLEDJSA-N- Molecular formula
- C26H46O9
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.31418304
Names & identifiers
- Preferred name
- Dihydro Mupirocin
- IUPAC
- 9-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbutanoyl]oxynonanoic acid
- English name
- Dihydro Mupirocin
- Molecular formula
- C26H46O9
- Molecular weight
- 502.64
Names & synonyms
Dihydro Mupirocin1246812-11-2DTXSID40332195RefChem:338218DTXCID90283289Mupirocin Impurity 119-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbutanoyl]oxynonanoic acid9-((4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbutanoyl)oxy)nonanoic acid9-({4-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbutanoyl}oxy)nonanoic acidMupirocin DihydroMupirocin Impurity 99-((4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3- hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)- 3-methylbutanoyl)oxy)nonanoic acid
Database identifiers
- CAS
1246812-11-2- PubChem CID
- 445603
- DTXSID
DTXSID40332195- EC Number
- 978-548-3
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Melting point
- 70 · 70-76°C
- Boiling point
- 663.9 · 663.9±55.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to Light Grey
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Applications
UsesMupirocin (M794000) analog.
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Compound notes
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