Basic information
- CAS
66262-68-8- Standard SMILES
C/C(=C\C(=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
IUBMRJVNZLQSHU-FDJBSCRHSA-N- Molecular formula
- C17H28O7
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.18350323
Overview
Monic acid is an epoxy fatty acid.
Names & identifiers
- Preferred name
- Monic acid
- IUPAC
- (E)-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-methylbut-2-enoic acid
- English name
- monic acid A
- Molecular formula
- C17H28O7
- Molecular weight
- 344.4
Names & synonyms
Monic AcidTYE9LL9U8VRefChem:1089807UNII-TYE9LL9U8V(E)-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-methylbut-2-enoic acid2-Butenoic acid, 3-methyl-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-, (2S-(2alpha(E),3beta,4beta,5alpha(2R*,3R*(1R*,2R*))))-SCHEMBL938093CHEBI:197047IUBMRJVNZLQSHU-FDJBSCRHSA-NFM26045(2E)-5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-L-talo-non-2-enonic Acid(2E)-5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-L-talo-non-2-enonic ac id
Show more names
monic acid AMupirocin Impurity 10Mupirocin Monic Acid AMupirocin EP Impurity 11Mupirocin Calcium Impurity 11[2E,8[2S,3S(1S,2S)]]-5,9-anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-Methylpropyl)oxiranyl]Methyl]-3-Met
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Melting point
- 132 · 132-136°C
- Boiling point
- 566.3 · 566.3±45.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO, Ethanol, Methanol
- form
- Solid
- pka
- 5.05 · 5.05±0.33(Predicted)
- color
- White
- FDA UNII
- 9 LL9U8V · TYE9LL9U8V
Chemistry & industry
Suppliers15 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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Related reactions
2 records
Compound notes
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