(9E)-12-ethyl-11-hydroxy-6-(3-hydroxytetrahydropyran-2-yl)oxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
Basic information
- CAS
19721-56-3- Standard SMILES
CCC1OC(=O)C(C)CC(C)C(OC2OCCCC2O)C(C)C(=O)/C=C/C1(C)O- InChIKey
BYAAFFJLAHEJMM-MDZDMXLPSA-N- Molecular formula
- C22H36O7
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.24610348
Names & identifiers
- Preferred name
- (9E)-12-ethyl-11-hydroxy-6-(3-hydroxytetrahydropyran-2-yl)oxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
- IUPAC
- (9E)-12-ethyl-11-hydroxy-6-(3-hydroxyoxan-2-yl)oxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
- English name
- picromycin
- Molecular formula
- C28H47NO8
- Molecular weight
- 525.68
Names & synonyms
Pikromycin, Antibiotic B 62169A, Amaromycin, Albomycetin(9E)-12-ethyl-11-hydroxy-6-(3-hydroxytetrahydropyran-2-yl)oxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dionepicromycinPikromycinAmaromycinAlbomycetinAntibiotic B 62169APikromycin, PREP inhibitor(3R,5R,6S,7S,9R,11E,13S,14R)-14-Ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-6-[[3-(dimethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]oxy]oxacyclotetradeca-11-ene-2,4,10-trioneOxacyclotetradec-11-ene-2,4,10-trione, 14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-6-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (3R,5R,6S,7S,9R,11E,13S,14R)-
Database identifiers
- CAS
19721-56-3- PubChem CID
- 6478433
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Melting point
- 169.5 ℃ · 169.5℃
- alpha
- 24 · D24 +8.2° (c = 3.5 in ethanol); D20 -33.5° (c = 2.07 in chloroform); D24 -50.2° (c = 6.3 in chloroform)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO: soluble
- form
- A crystalline solid
- Boiling point
- 688.1 · 688.1±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 11.15 · 11.15±0.70(Predicted)
- color
- White crystalline
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 G3Z439 · FBM8G3Z439
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Applications
UsesPikromycin is an inhibitor of Prolyl endopeptidase.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A macrolide antibiotic that is biosynthesised by Streptomyces venezuelae.
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Compound notes
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