Basic information
- CAS
18719-76-1- Standard SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O.[Cl-]- InChIKey
ADZHXBNWNZIHIX-XYGAWYNKSA-N- Molecular formula
- C27H31ClO15
- Average molar mass
- 631 g/mol
- Monoisotopic mass
- 630.135148
Overview
Cyanidin 3-O-rutinoside chloride is a member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart. It contains a cyanidin 3-O-rutinoside.
Names & identifiers
- Preferred name
- Keracyanin
- IUPAC
- (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol chloride
- English name
- KERACYANIN CHLORIDE
- Molecular formula
- C27H31ClO15
- Molecular weight
- 630.98
Names & synonyms
Keracyanin chloride18719-76-1KERACYANINAntirrhininSambucincyanidin 3-O-rutinoside chloridePrunicyaninKeracyanineMeralopKeracyaninumMeralopsCyanidin 3-rhamnoglucoside
Show more names
CYANIDIN3-O-RUTINOSIDEcyanidin3-rhamnoglucosideCYANIDIN-3-O-RUTINOSIDE CHLORIDECyanidin 3-(6-O-rhamnosylglucoside)cyaninosidecyanidin-3-O-rut
Anthocyanin a2keracianinaV0N2VMB4FVCHEBI:16726DTXSID00927864cyanidin chloride 3-rhamnoglucoside(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloridecyaninoside chloride
Database identifiers
- CAS
18719-76-1- PubChem CID
- 29231
- DTXSID
DTXSID00927864- ChEMBL
CHEMBL592218- ChEBI
Properties
Computed structural properties
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 882
Physicochemical properties
- Melting point
- 175 ℃ · 175℃
- storage temp.
- 20 °C · −20°C
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Red to Dark Red
- Major Application
- food and beverages
- InChIKey
- ADZHXBNWNZIHIX-XYGAWYNKSA-N
- SMILES
- [Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 N2VMB4FV · V0N2VMB4FV
- UNSPSC Code
- 85151701 · 85151701
- NACRES
- 24 · NA.24
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- RTECS
- 5007000 · OA5007000
- F
- 10 · 10
- Storage Class
- 11 · 11 - Combustible Solids
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 Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- OA5007000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesCyanidin 3-O-Rutinoside retards absorption of carbohydrates by inhibition of α-glucosidase which may be useful as a potential inhibitor for prevention and treatment of diabetes mellitus.
Upstream & downstream products
Upstream raw materials
Suppliers100 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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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