Basic information
- CAS
34565-32-7- Standard SMILES
CCCC[C@H](O)[C@@H]1CC(OC)=CC(=O)O1- InChIKey
YFIMUDXPJZVJJO-UWVGGRQHSA-N- Molecular formula
- C11H18O4
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.12050905
Overview
(2S)-2-[(1S)-1-Hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one is a pyranone.
Names & identifiers
- Preferred name
- (2S)-2-((1S)-1-hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
- IUPAC
- (2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
- English name
- (±)-Pestalotin
- Molecular formula
- C11H18O4
- Molecular weight
- 214.26
Names & synonyms
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-oneRefChem:1049931Pestalotin34565-32-7(+/-)-Pestalotin(6S)-6-[(1S)-1-Hydroxypentyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one(-)-pestalotinorb1693361ACon1_001546DTXSID20956075CHEBI:182798
Show more names
(±)-Pestalotin6-Hydroxy-3-Methoxy-2-decen-5-olide, LL-P880 alpha(S)-5,6-Dihydro-6-[(S)-1-hydroxypentyl]-4-methoxy-2H-pyran-2-one2H-Pyran-2-one, 5,6-dihydro-6-[(1S)-1-hydroxypentyl]-4-methoxy-, (6S)-
EX-A16405MFCD11111616AKOS040755502NCGC00180394-01DA-56709HY-119328CS-0067052NS00097232
Database identifiers
- CAS
34565-32-7- PubChem CID
- 182201
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 76 · 76-79 °C(Solv: hexane (110-54-3); benzene (71-43-2))
- Boiling point
- 384.7 · 384.7±42.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 13.9 · 13.90±0.20(Predicted)
- form
- A powder
Chemistry & industry
Applications
UsesPestalotin is a pyran-2-one metabolite produced by Pencillium decumbens. Pestalotin is a gibberellin synergist and plant growth stimulator. Pestalotin does not influence elongation of rice seedlings when given alone, but acts synergistically to enhance gibberellic acid-induced elongation.
UsesPestalotin is a pyran-2-one metabolite that can act as a gibberellin synergist.
Suppliers11 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [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]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
桂林艾使普林生物科技有限公司15920419256 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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