Basic information
- CAS
626236-07-5- Standard SMILES
O=c1cc(CCc2ccccc2)oc2c1C[C@H](O)[C@H](O)C2- InChIKey
KWVBDMMXVYZIIS-JKSUJKDBSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone
- IUPAC
- (6S,7R)-6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydro-6,7-dihydroxy-2-(2-phenylethyl)-, (6S,7R)-rel-(-)-
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone626236-07-5orb1941494HY-N10752CS-0634410G88947T83277(6S,7R)-6,7-dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one4H-1-Benzopyran-4-one, 5,6,7,8-tetrahydro-6,7-dihydroxy-2-(2-phenylethyl)-, (6S,7R)-rel-(-)-
Database identifiers
- CAS
626236-07-5- PubChem CID
- 11748143
- Nikkaji
- J1.891.483B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Boiling point
- 524.1 · 524.1±50.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 13.66 · 13.66±0.60(Predicted)
Chemistry & industry
Applications
Uses6,7-Dihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromone is a natural chromone derivative found in withered wood of Aquilaria sinensis[1].
Suppliers8 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
四川精萃天成药物科技有限公司028-87865381 18108190480 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都普瑞法科技开发有限公司+86-28-82633860; +86-18080483897 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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