Basic information
- CAS
530-14-3- Standard SMILES
CC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
GOZCEKPKECLKNO-RKQHYHRCSA-N- Molecular formula
- C14H18O7
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.10525291
Overview
Picein is a glycoside.
Names & identifiers
- Preferred name
- Picein
- IUPAC
- 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
- English name
- L-PICEIN
- Molecular formula
- C14H18O7
- Molecular weight
- 298.29
Names & synonyms
Picein530-14-32H3ACT49CQ1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanoneDTXSID2010315351-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]ethanone1-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)ethanonebeta-Glucopyrane-4-oxyacetophenone1-(4-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxyphenyl)ethanoneRefChem:174133DTXCID701516552208-473-7
Show more names
ETHANONEPicein-RMPICEIN, L-PICEIN (RG)
AmeliarosideSalinigrinPiceosideSalicinereinL-piceinp-Hydroxyacetophenone-D-glucoside1192351-89-54-ACETYLPHENYL BETA-D-GLUCOPYRANOSIDE
Database identifiers
- CAS
530-14-3
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 195 °C · 195°C
- alpha
- 23 · D23 -88° (c = 1)
- Boiling point
- 399.71 °C · 399.71°C (rough estimate)
- Density
- 1.3141 · 1.3141 (rough estimate)
- refractive index
- 1.638 · 1.6380 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Ethanol (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 12.71 · 12.71±0.70(Predicted)
- color
- White to Pale Yellow
- BRN
- 90049 · 90049
- Stability
- Hygroscopic
- Major Application
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesfood and beverages
Suppliers66 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北丹鼎医药科技有限公司18917019315（微信同号） 17701422019 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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