Basic information
- CAS
935699-58-4- Standard SMILES
C=C1OC(=O)c2c(O)cc(O)c(C=O)c2[C@@H]1C- InChIKey
XLKIJHXPWYIGIM-RXMQYKEDSA-N- Molecular formula
- C12H10O5
- Average molar mass
- 234.2 g/mol
- Monoisotopic mass
- 234.05282342
Overview
(4S)-(+)-Ascochin is a hydroxybenzoic acid.
Names & identifiers
- Preferred name
- Ascochin
- IUPAC
- (4S)-6,8-dihydroxy-4-methyl-3-methylidene-1-oxo-4H-isochromene-5-carbaldehyde
- English name
- (S)-(+)-Ascochin
- Molecular formula
- C12H10O5
- Molecular weight
- 234.2
Names & synonyms
Ascochin935699-58-4(S)-(+)-Ascochin(4S)-(+)-Ascochin(4S)-6,8-Dihydroxy-4-methyl-3-methylidene-1-oxo-4H-isochromene-5-carbaldehyde(S)-6,8-Dihydroxy-4-methyl-3-methylene-1-oxoisochromane-5-carbaldehydeorb2299247CHEBI:216745TN7526HY-111067CS-0034122(4S)-6,8-dihydroxy-4-methyl-3-methylene-1-oxo-isochromane-5-carbaldehyde
Show more names
(4S)-3,4-Dihydro-6,8-dihydroxy-4-methyl-3-methylene-1-oxo-1H-2-benzopyran-5-carboxaldehyde1H-2-Benzopyran-5-carboxaldehyde, 3,4-dihydro-6,8-dihydroxy-4-methyl-3-methylene-1-oxo-, (4S)-
Database identifiers
- CAS
935699-58-4- PubChem CID
- 16114834
- ChEBI
CHEBI:216745- Nikkaji
- J2.436.035K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 424 · 424.0±45.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane: soluble; DMSO: soluble; Methanol: soluble
- form
- White to off-white solid.
- pka
- 5.27 · 5.27±0.40(Predicted)
- color
- White to off-white
- 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
Uses(S)-(+)-Ascochin is antibiotic and Antifungal.
Suppliers9 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [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]
ChemeGen 中国18818260767 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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